2-[azepan-4-yl(pyridin-2-yl)amino]-6-bromanyl-8-cyclopentyl-pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 2-[azepan-4-yl(pyridin-2-yl)amino]-6-bromanyl-8-cyclopentyl-pyrido[2,3-d]pyrimidin-7-one Openeye Name: 2-[azepan-4-yl(2-pyridyl)amino]-6-bromo-8-cyclopentyl-pyrido[2,3-d]pyrimidin-7-one CAS Name: 2-[4-azepanyl(2-pyridinyl)amino]-6-bromo-8-cyclopentyl-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 2-[azepan-4-yl(pyridin-2-yl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one Traditional Name: 2-[azepan-4-yl(2-pyridyl)amino]-6-bromo-8-cyclopentyl-pyrido[2,3-d]pyrimidin-7-one Formula: C23H27BrN6O MolecularWeight: 483.40408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=NC(=NC=C3C=C(C2=O)Br)N(C4CCCNCC4)C5=CC=CC=N5

Isomeric SMILES

C1CCC(C1)N2C3=NC(=NC=C3C=C(C2=O)Br)N(C4CCCNCC4)C5=CC=CC=N5

InChI

InChI=1S/C23H27BrN6O/c24-19-14-16-15-27-23(28-21(16)30(22(19)31)17-6-1-2-7-17)29(20-9-3-4-12-26-20)18-8-5-11-25-13-10-18/h3-4,9,12,14-15,17-18,25H,1-2,5-8,10-11,13H2