3-[5-chloranyl-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)propanenitrile

Systemtic Name: 3-[5-chloranyl-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)propanenitrile Openeye Name: 3-[2-(4-benzyl-1-piperidyl)-5-chloro-pyrimidin-4-yl]-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)propanenitrile CAS Name: 3-[5-chloro-2-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)propanenitrile IUPAC Name: 3-[2-(4-benzylpiperidin-1-yl)-5-chloropyrimidin-4-yl]-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)propanenitrile Traditional Name: 3-[2-(4-benzylpiperidino)-5-chloro-pyrimidin-4-yl]-3-keto-2-(4-keto-1H-quinazolin-2-yl)propionitrile Formula: C27H23ClN6O2 MolecularWeight: 498.96352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC=C(C(=N3)C(=O)C(C#N)C4=NC(=O)C5=CC=CC=C5N4)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC=C(C(=N3)C(=O)C(C#N)C4=NC(=O)C5=CC=CC=C5N4)Cl

InChI

InChI=1S/C27H23ClN6O2/c28-21-16-30-27(34-12-10-18(11-13-34)14-17-6-2-1-3-7-17)32-23(21)24(35)20(15-29)25-31-22-9-5-4-8-19(22)26(36)33-25/h1-9,16,18,20H,10-14H2,(H,31,33,36)