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

Systemtic Name: 3-[[4-(azepan-1-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzenecarbonitrile Openeye Name: 3-[[4-(azepan-1-yl)-2-(3-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile CAS Name: 3-[[4-(1-azepanyl)-2-(3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[4-(azepan-1-yl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile Traditional Name: 3-[[4-(azepan-1-yl)-2-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H26N6O2S/c26-16-19-7-5-9-21(15-19)34(32,33)31-14-10-23-22(18-31)25(30-12-3-1-2-4-13-30)29-24(28-23)20-8-6-11-27-17-20/h5-9,11,15,17H,1-4,10,12-14,18H2