3-methyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[2-(2-oxidanylideneindol-3-yl)hydrazinyl]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-[2-(2-oxoindol-3-yl)hydrazino]purine-2,6-dione CAS Name: 3-methyl-8-[(2-oxo-3-indolyl)hydrazo]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-[2-(2-oxoindol-3-yl)hydrazinyl]-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[N'-(2-ketoindol-3-yl)hydrazino]-3-methyl-xanthine Formula: C17H15N7O3 MolecularWeight: 365.3461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=CC=CC4=NC3=O)CC=C

InChI

InChI=1S/C17H15N7O3/c1-3-8-24-12-13(23(2)17(27)20-15(12)26)19-16(24)22-21-11-9-6-4-5-7-10(9)18-14(11)25/h3-7H,1,8H2,2H3,(H,19,22)(H,18,21,25)(H,20,26,27)