1,3-dimethyl-7-[2-[(1-methylazepan-2-ylidene)amino]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[(1-methylazepan-2-ylidene)amino]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[(1-methylazepan-2-ylidene)amino]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[(1-methyl-2-azepanylidene)amino]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[(1-methylazepan-2-ylidene)amino]ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[(1-methylazepan-2-ylidene)amino]ethyl]xanthine Formula: C16H24N6O2 MolecularWeight: 332.40076

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCCC1=NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CN1CCCCCC1=NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H24N6O2/c1-19-9-6-4-5-7-12(19)17-8-10-22-11-18-14-13(22)15(23)21(3)16(24)20(14)2/h11H,4-10H2,1-3H3