7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione Openeye Name: 8-(2-isopropylidenehydrazino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(2-propan-2-ylidenehydrazinyl)purine-2,6-dione Traditional Name: 8-(N'-isopropylidenehydrazino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C18H22N6O3 MolecularWeight: 370.40568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)NC(=O)N2C)C

Isomeric SMILES

CC(=NNC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)NC(=O)N2C)C

InChI

InChI=1S/C18H22N6O3/c1-11(2)21-22-17-19-15-14(16(25)20-18(26)23(15)3)24(17)10-9-12-5-7-13(27-4)8-6-12/h5-8H,9-10H2,1-4H3,(H,19,22)(H,20,25,26)