2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[6-(propylthio)-1H-benzimidazol-2-yl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[6-(propylthio)-1H-benzimidazol-2-yl]acetamide Formula: C19H21N7O3S MolecularWeight: 427.48014

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H21N7O3S/c1-4-7-30-11-5-6-12-13(8-11)22-18(21-12)23-14(27)9-26-10-20-16-15(26)17(28)25(3)19(29)24(16)2/h5-6,8,10H,4,7,9H2,1-3H3,(H2,21,22,23,27)