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

Systemtic Name: 3-[(2-pyridin-2-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]benzenecarbonitrile Openeye Name: 3-[[2-(2-pyridyl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile CAS Name: 3-[[2-(2-pyridinyl)-4-(1-pyrrolidinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]sulfonyl]benzonitrile IUPAC Name: 3-[(2-pyridin-2-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]benzonitrile Traditional Name: 3-[[2-(2-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=CC=CC=N5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2CN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N)C5=CC=CC=N5

InChI

InChI=1S/C23H22N6O2S/c24-15-17-6-5-7-18(14-17)32(30,31)29-13-9-20-19(16-29)23(28-11-3-4-12-28)27-22(26-20)21-8-1-2-10-25-21/h1-2,5-8,10,14H,3-4,9,11-13,16H2