3-[8-[(4-ethoxyphenyl)amino]-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile

Systemtic Name: 3-[8-[(4-ethoxyphenyl)amino]-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile Openeye Name: 3-[8-(4-ethoxyanilino)-3-methyl-2,6-dioxo-purin-7-yl]propanenitrile CAS Name: 3-[8-(4-ethoxyanilino)-3-methyl-2,6-dioxo-7-purinyl]propanenitrile IUPAC Name: 3-[8-(4-ethoxyanilino)-3-methyl-2,6-dioxopurin-7-yl]propanenitrile Traditional Name: 3-[2,6-diketo-3-methyl-8-(p-phenetidino)purin-7-yl]propionitrile Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC3=C(N2CCC#N)C(=O)NC(=O)N3C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC3=C(N2CCC#N)C(=O)NC(=O)N3C

InChI

InChI=1S/C17H18N6O3/c1-3-26-12-7-5-11(6-8-12)19-16-20-14-13(23(16)10-4-9-18)15(24)21-17(25)22(14)2/h5-8H,3-4,10H2,1-2H3,(H,19,20)(H,21,24,25)