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Ethyl {2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-benzimidazol-1-yl}acetate
SpectraBase Compound ID IGo7sM80jJ3
InChI InChI=1S/C19H20N6O4S/c1-5-29-13(26)10-25-12-9-7-6-8-11(12)20-18(25)30-17-21-15-14(22(17)2)16(27)24(4)19(28)23(15)3/h6-9H,5,10H2,1-4H3
InChIKey GHXUHAJBUZJFBR-UHFFFAOYSA-N
Mol Weight 428.47 g/mol
Molecular Formula C19H20N6O4S
Exact Mass 428.126674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQoVWNFU8zz
Name Ethyl {2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-benzimidazol-1-yl}acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N6O4S
InChI InChI=1S/C19H20N6O4S/c1-5-29-13(26)10-25-12-9-7-6-8-11(12)20-18(25)30-17-21-15-14(22(17)2)16(27)24(4)19(28)23(15)3/h6-9H,5,10H2,1-4H3
InChIKey GHXUHAJBUZJFBR-UHFFFAOYSA-N
Molecular Weight 428.467 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)Sc1[n](c2ccccc2n1)CC(=O)OCC
SPLASH splash10-002b-6931200000-d38f0934000333db2511
Synonyms 2-[2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]-1-benzimidazolyl]acetic acid ethyl ester 2-[2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]benzimidazol-1-yl]acetic acid ethyl ester Ethyl 2-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylbenzimidazol-1-yl]acetate Ethyl 2-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbenzimidazol-1-yl]ethanoate
Wiley ID 1448095