7-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-oxidanylidene-8-(propylamino)purin-2-olate

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-oxidanylidene-8-(propylamino)purin-2-olate Openeye Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-oxo-8-(propylamino)purin-2-olate CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-oxo-8-(propylamino)-2-purinolate IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-oxo-8-(propylamino)purin-2-olate Traditional Name: 6-keto-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(propylamino)purin-2-olate Formula: C18H22N5O3- MolecularWeight: 356.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CCCNC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C18H23N5O3/c1-4-10-19-17-20-15-14(16(24)21-18(25)22(15)2)23(17)11-9-12-5-7-13(26-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,19,20)(H,21,24,25)/p-1