8-[2-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-[2-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-[2-[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 8-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[2-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-[N'-[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-isobutyl-3-methyl-xanthine Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNNC2=NC3=C(N2CC(C)C)C(=O)NC(=O)N3C)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNNC2=NC3=C(N2CC(C)C)C(=O)NC(=O)N3C)C=CC1=O

InChI

InChI=1S/C19H24N6O4/c1-5-29-14-8-12(6-7-13(14)26)9-20-23-18-21-16-15(25(18)10-11(2)3)17(27)22-19(28)24(16)4/h6-9,11,20H,5,10H2,1-4H3,(H,21,23)(H,22,27,28)