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

Systemtic Name: 1,3-dimethyl-7-[3-[(1-methylazepan-2-ylidene)amino]propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-[(1-methylazepan-2-ylidene)amino]propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-[(1-methyl-2-azepanylidene)amino]propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-[(1-methylazepan-2-ylidene)amino]propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-[(1-methylazepan-2-ylidene)amino]propyl]xanthine Formula: C17H26N6O2 MolecularWeight: 346.42734

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCCC1=NCCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CN1CCCCCC1=NCCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H26N6O2/c1-20-10-6-4-5-8-13(20)18-9-7-11-23-12-19-15-14(23)16(24)22(3)17(25)21(15)2/h12H,4-11H2,1-3H3