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7-(2-Chloro-benzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboximidic acid ethyl ester
SpectraBase Compound ID AxYUTHPDZvH
InChI InChI=1S/C17H18ClN5O3/c1-4-26-13(19)15-20-14-12(16(24)22(3)17(25)21(14)2)23(15)9-10-7-5-6-8-11(10)18/h5-8,19H,4,9H2,1-3H3
InChIKey LKAZKLOCRFHVGI-UHFFFAOYSA-N
Mol Weight 375.82 g/mol
Molecular Formula C17H18ClN5O3
Exact Mass 375.109817 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1Nhv8AnFGC
Name 7-(2-Chloro-benzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboximidic acid ethyl ester
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Formula C17H18ClN5O3
InChI InChI=1S/C17H18ClN5O3/c1-4-26-13(19)15-20-14-12(16(24)22(3)17(25)21(14)2)23(15)9-10-7-5-6-8-11(10)18/h5-8,19H,4,9H2,1-3H3
InChIKey LKAZKLOCRFHVGI-UHFFFAOYSA-N
Molecular Weight 375.816 g/mol
SMILES N=C(c1[n](c2c(N(C)C(N(C2=O)C)=O)n1)Cc1c(Cl)cccc1)OCC
SPLASH splash10-004l-3923000000-8c5c2670485d0fac70eb
Synonyms 7-(2-Chlorobenzyl)-2,6-diketo-1,3-dimethyl-purine-8-carboximidic acid ethyl ester 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinecarboximidic acid ethyl ester Ethyl 7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboximidoate Ethyl 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purine-8-carboximidate Ethyl 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purine-8-carboximidate
Wiley ID 1460097