3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-prop-2-enylsulfanylphenyl)propanamide

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-prop-2-enylsulfanylphenyl)propanamide Openeye Name: N-(2-allylsulfanylphenyl)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[2-(prop-2-enylthio)phenyl]propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-prop-2-enylsulfanylphenyl)propanamide Traditional Name: N-[2-(allylthio)phenyl]-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C19H21N5O3S/c1-4-11-28-14-8-6-5-7-13(14)21-15(25)9-10-24-12-20-17-16(24)18(26)23(3)19(27)22(17)2/h4-8,12H,1,9-11H2,2-3H3,(H,21,25)