8-[6-(1,4-diazepan-1-yl)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione

Systemtic Name: 8-[6-(1,4-diazepan-1-yl)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 8-[6-(1,4-diazepan-1-yl)-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 8-[6-(1,4-diazepan-1-yl)-3-pyridinyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 8-[6-(1,4-diazepan-1-yl)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-[6-(1,4-diazepan-1-yl)-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C21H31N7O2 MolecularWeight: 413.51654

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)N4CCCNCC4

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)N4CCCNCC4

InChI

InChI=1S/C21H31N7O2/c1-3-10-27-19-17(20(29)28(11-4-2)21(27)30)24-18(25-19)15-6-7-16(23-14-15)26-12-5-8-22-9-13-26/h6-7,14,17,19,22H,3-5,8-13H2,1-2H3,(H,24,25)