3-(5-chloranyl-2-piperidin-1-yl-pyrimidin-4-yl)-3-oxidanylidene-2-(4-oxidanylidene-4aH-quinazolin-2-yl)propanenitrile

Systemtic Name: 3-(5-chloranyl-2-piperidin-1-yl-pyrimidin-4-yl)-3-oxidanylidene-2-(4-oxidanylidene-4aH-quinazolin-2-yl)propanenitrile Openeye Name: 3-[5-chloro-2-(1-piperidyl)pyrimidin-4-yl]-3-oxo-2-(4-oxo-4aH-quinazolin-2-yl)propanenitrile CAS Name: 3-[5-chloro-2-(1-piperidinyl)-4-pyrimidinyl]-3-oxo-2-(4-oxo-4aH-quinazolin-2-yl)propanenitrile IUPAC Name: 3-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-3-oxo-2-(4-oxo-4aH-quinazolin-2-yl)propanenitrile Traditional Name: 3-(5-chloro-2-piperidino-pyrimidin-4-yl)-3-keto-2-(4-keto-4aH-quinazolin-2-yl)propionitrile Formula: C20H17ClN6O2 MolecularWeight: 408.84098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C(=N2)C(=O)C(C#N)C3=NC(=O)C4C=CC=CC4=N3)Cl

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C(=N2)C(=O)C(C#N)C3=NC(=O)C4C=CC=CC4=N3)Cl

InChI

InChI=1S/C20H17ClN6O2/c21-14-11-23-20(27-8-4-1-5-9-27)25-16(14)17(28)13(10-22)18-24-15-7-3-2-6-12(15)19(29)26-18/h2-3,6-7,11-13H,1,4-5,8-9H2