8-[2-[(3-ethoxy-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-ethoxy-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-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-3,7-dimethyl-1-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[2-[(3-ethoxy-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'-[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3,7-dimethyl-xanthine Formula: C19H22N6O4 MolecularWeight: 398.41578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC=C)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC=C)C=CC1=O

InChI

InChI=1S/C19H22N6O4/c1-5-9-25-17(27)15-16(24(4)19(25)28)21-18(23(15)3)22-20-11-12-7-8-13(26)14(10-12)29-6-2/h5,7-8,10-11,20H,1,6,9H2,2-4H3,(H,21,22)