8-[2-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3,7-dimethyl-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[2-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3,7-dimethyl-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-8-[2-[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-3,7-dimethyl-1-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[2-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3,7-dimethyl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-8-[N'-[(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3,7-dimethyl-xanthine Formula: C18H20N6O4 MolecularWeight: 384.3892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NNC=C3C=CC(=O)C(=C3)OC)N(C(=O)N(C2=O)CC=C)C

Isomeric SMILES

CN1C2=C(N=C1NNC=C3C=CC(=O)C(=C3)OC)N(C(=O)N(C2=O)CC=C)C

InChI

InChI=1S/C18H20N6O4/c1-5-8-24-16(26)14-15(23(3)18(24)27)20-17(22(14)2)21-19-10-11-6-7-12(25)13(9-11)28-4/h5-7,9-10,19H,1,8H2,2-4H3,(H,20,21)