N-[5-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-2-methyl-phenyl]propanamide

Systemtic Name: N-[5-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-2-methyl-phenyl]propanamide Openeye Name: N-[5-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-2-methyl-phenyl]propanamide CAS Name: N-[5-[[2-[(6-amino-7H-purin-8-yl)thio]-1-oxoethyl]amino]-2-methylphenyl]propanamide IUPAC Name: N-[5-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-2-methylphenyl]propanamide Traditional Name: N-[5-[[2-[(6-amino-7H-purin-8-yl)thio]acetyl]amino]-2-methyl-phenyl]propionamide Formula: C17H19N7O2S MolecularWeight: 385.44346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C

InChI

InChI=1S/C17H19N7O2S/c1-3-12(25)22-11-6-10(5-4-9(11)2)21-13(26)7-27-17-23-14-15(18)19-8-20-16(14)24-17/h4-6,8H,3,7H2,1-2H3,(H,21,26)(H,22,25)(H3,18,19,20,23,24)