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

Systemtic Name: 8-[2-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-isobutyl-8-[2-[(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 8-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[2-[(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-isobutyl-8-[N'-[(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-xanthine Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NNC=C3C=CC=C(C3=O)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1NNC=C3C=CC=C(C3=O)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H22N6O4/c1-10(2)9-24-13-15(23(3)18(27)21-16(13)26)20-17(24)22-19-8-11-6-5-7-12(28-4)14(11)25/h5-8,10,19H,9H2,1-4H3,(H,20,22)(H,21,26,27)