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3-Adamantan-1-yl-6-amino-4-thiophen-2-yl-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID 2mcd6jRBUGu
InChI InChI=1S/C21H22N4OS/c22-10-14-16(15-2-1-3-27-15)17-18(24-25-20(17)26-19(14)23)21-7-11-4-12(8-21)6-13(5-11)9-21/h1-3,11-13,16H,4-9,23H2,(H,24,25)/t11-,12+,13-,16?,21-
InChIKey NOTKSEJHYGNNOT-ZVTGRLGBSA-N
Mol Weight 378.49 g/mol
Molecular Formula C21H22N4OS
Exact Mass 378.151433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFa4g8Z2NCD
Name 3-Adamantan-1-yl-6-amino-4-thiophen-2-yl-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N4OS
InChI InChI=1S/C21H22N4OS/c22-10-14-16(15-2-1-3-27-15)17-18(24-25-20(17)26-19(14)23)21-7-11-4-12(8-21)6-13(5-11)9-21/h1-3,11-13,16H,4-9,23H2,(H,24,25)/t11-,12+,13-,16?,21-
InChIKey NOTKSEJHYGNNOT-ZVTGRLGBSA-N
Molecular Weight 378.494 g/mol
SMILES NC1=C(C(c2c(O1)[nH]nc2C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])c1sccc1)C#N
SPLASH splash10-002e-9752000000-a26fc0694f3d1ea04e19
Synonyms 3-(1-Adamantyl)-6-amino-4-(2-thienyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 3-(1-adamantyl)-6-amino-4-(2-thienyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 3-(1-adamantyl)-6-amino-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 3-(1-adamantyl)-6-azanyl-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Wiley ID 1463376