3-methyl-8-[2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-8-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-propylpurine-2,6-dione Traditional Name: 8-[N'-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-propyl-xanthine Formula: C16H18N6O3 MolecularWeight: 342.35252

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NNC=C3C=CC(=O)C=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1NNC=C3C=CC(=O)C=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H18N6O3/c1-3-8-22-12-13(21(2)16(25)19-14(12)24)18-15(22)20-17-9-10-4-6-11(23)7-5-10/h4-7,9,17H,3,8H2,1-2H3,(H,18,20)(H,19,24,25)