8-[6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C22H31N7O2 MolecularWeight: 425.52724

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)N4CCCN(CC4)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)N4CCCN(CC4)C

InChI

InChI=1S/C22H31N7O2/c1-4-9-28-20-18(21(30)29(10-5-2)22(28)31)24-19(25-20)16-7-8-17(23-15-16)27-12-6-11-26(3)13-14-27/h7-8,15H,4-6,9-14H2,1-3H3,(H,24,25)