3-methyl-7-(3-methylbutyl)-8-[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Traditional Name: 7-isoamyl-8-[N'-[(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-xanthine Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1NNC=C3C=CC=CC3=O)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1NNC=C3C=CC=CC3=O)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H22N6O3/c1-11(2)8-9-24-14-15(23(3)18(27)21-16(14)26)20-17(24)22-19-10-12-6-4-5-7-13(12)25/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,22)(H,21,26,27)