3-[[4-(azepan-1-yl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(azepan-1-yl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzenecarbonitrile Openeye Name: 3-[[4-(azepan-1-yl)-2-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile CAS Name: 3-[[4-(1-azepanyl)-2-(2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[4-(azepan-1-yl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile Traditional Name: 3-[[4-(azepan-1-yl)-2-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile Formula: C25H26N6O2S MolecularWeight: 474.57794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC3=C2CN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N)C5=CC=CC=N5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC3=C2CN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N)C5=CC=CC=N5

InChI

InChI=1S/C25H26N6O2S/c26-17-19-8-7-9-20(16-19)34(32,33)31-15-11-22-21(18-31)25(30-13-5-1-2-6-14-30)29-24(28-22)23-10-3-4-12-27-23/h3-4,7-10,12,16H,1-2,5-6,11,13-15,18H2