1,3-dimethyl-7-[3-(4-methyl-1,4-diazepan-1-yl)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-(4-methyl-1,4-diazepan-1-yl)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-(4-methyl-1,4-diazepan-1-yl)propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-(4-methyl-1,4-diazepan-1-yl)propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-(4-methyl-1,4-diazepan-1-yl)propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-(4-methyl-1,4-diazepan-1-yl)propyl]xanthine Formula: C16H26N6O2 MolecularWeight: 334.41664

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CN1CCCN(CC1)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H26N6O2/c1-18-6-4-7-21(11-10-18)8-5-9-22-12-17-14-13(22)15(23)20(3)16(24)19(14)2/h12H,4-11H2,1-3H3