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

Systemtic Name: 3-[(2-pyridin-3-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]benzenecarbonitrile Openeye Name: 3-[[2-(3-pyridyl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile CAS Name: 3-[[2-(3-pyridinyl)-4-(1-pyrrolidinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile IUPAC Name: 3-[(2-pyridin-3-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]benzonitrile Traditional Name: 3-[[2-(3-pyridyl)-4-pyrrolidino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2CN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N)C5=CN=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2CN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N)C5=CN=CC=C5

InChI

InChI=1S/C23H22N6O2S/c24-14-17-5-3-7-19(13-17)32(30,31)29-12-8-21-20(16-29)23(28-10-1-2-11-28)27-22(26-21)18-6-4-9-25-15-18/h3-7,9,13,15H,1-2,8,10-12,16H2