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

Systemtic Name: 1,3-dimethyl-7-[3-(4-pyridin-2-yl-1,4-diazepan-1-yl)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-[4-(2-pyridyl)-1,4-diazepan-1-yl]propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-[4-(2-pyridinyl)-1,4-diazepan-1-yl]propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-(4-pyridin-2-yl-1,4-diazepan-1-yl)propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-[4-(2-pyridyl)-1,4-diazepan-1-yl]propyl]xanthine Formula: C20H27N7O2 MolecularWeight: 397.47408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H27N7O2/c1-23-18-17(19(28)24(2)20(23)29)27(15-22-18)12-6-10-25-9-5-11-26(14-13-25)16-7-3-4-8-21-16/h3-4,7-8,15H,5-6,9-14H2,1-2H3