N-[4-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]phenyl]propanamide

Systemtic Name: N-[4-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]phenyl]propanamide Openeye Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]phenyl]propanamide CAS Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)thio]-1-oxoethyl]amino]phenyl]propanamide IUPAC Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]phenyl]propanamide Traditional Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)thio]acetyl]amino]phenyl]propionamide Formula: C16H17N7O2S MolecularWeight: 371.41688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N7O2S/c1-2-11(24)20-9-3-5-10(6-4-9)21-12(25)7-26-16-22-13-14(17)18-8-19-15(13)23-16/h3-6,8H,2,7H2,1H3,(H,20,24)(H,21,25)(H3,17,18,19,22,23)