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

Systemtic Name: 3-methyl-8-[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-pentyl-purine-2,6-dione CAS Name: 3-methyl-8-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-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:

CCCCCN1C2=C(N=C1NNC=C3C=CC=CC3=O)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1NNC=C3C=CC=CC3=O)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H22N6O3/c1-3-4-7-10-24-14-15(23(2)18(27)21-16(14)26)20-17(24)22-19-11-12-8-5-6-9-13(12)25/h5-6,8-9,11,19H,3-4,7,10H2,1-2H3,(H,20,22)(H,21,26,27)