3-[2-(azepan-1-yl)-5-chloranyl-pyrimidin-4-yl]-3-oxidanylidene-2-(4-oxidanylidene-4aH-quinazolin-2-yl)propanenitrile

Systemtic Name: 3-[2-(azepan-1-yl)-5-chloranyl-pyrimidin-4-yl]-3-oxidanylidene-2-(4-oxidanylidene-4aH-quinazolin-2-yl)propanenitrile Openeye Name: 3-[2-(azepan-1-yl)-5-chloro-pyrimidin-4-yl]-3-oxo-2-(4-oxo-4aH-quinazolin-2-yl)propanenitrile CAS Name: 3-[2-(1-azepanyl)-5-chloro-4-pyrimidinyl]-3-oxo-2-(4-oxo-4aH-quinazolin-2-yl)propanenitrile IUPAC Name: 3-[2-(azepan-1-yl)-5-chloropyrimidin-4-yl]-3-oxo-2-(4-oxo-4aH-quinazolin-2-yl)propanenitrile Traditional Name: 3-[2-(azepan-1-yl)-5-chloro-pyrimidin-4-yl]-3-keto-2-(4-keto-4aH-quinazolin-2-yl)propionitrile Formula: C21H19ClN6O2 MolecularWeight: 422.86756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=C(C(=N2)C(=O)C(C#N)C3=NC(=O)C4C=CC=CC4=N3)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NC=C(C(=N2)C(=O)C(C#N)C3=NC(=O)C4C=CC=CC4=N3)Cl

InChI

InChI=1S/C21H19ClN6O2/c22-15-12-24-21(28-9-5-1-2-6-10-28)26-17(15)18(29)14(11-23)19-25-16-8-4-3-7-13(16)20(30)27-19/h3-4,7-8,12-14H,1-2,5-6,9-10H2