3-[2-(azepan-1-yl)-5-chloranyl-pyrimidin-4-yl]-2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[2-(azepan-1-yl)-5-chloranyl-pyrimidin-4-yl]-2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-[2-(azepan-1-yl)-5-chloro-pyrimidin-4-yl]-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxo-propanenitrile CAS Name: 3-[2-(1-azepanyl)-5-chloro-4-pyrimidinyl]-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxopropanenitrile IUPAC Name: 3-[2-(azepan-1-yl)-5-chloropyrimidin-4-yl]-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxopropanenitrile Traditional Name: 3-[2-(azepan-1-yl)-5-chloro-pyrimidin-4-yl]-3-keto-2-(4-keto-6-methyl-1H-quinazolin-2-yl)propionitrile Formula: C22H21ClN6O2 MolecularWeight: 436.89414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=NC2=O)C(C#N)C(=O)C3=NC(=NC=C3Cl)N4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=NC2=O)C(C#N)C(=O)C3=NC(=NC=C3Cl)N4CCCCCC4

InChI

InChI=1S/C22H21ClN6O2/c1-13-6-7-17-14(10-13)21(31)28-20(26-17)15(11-24)19(30)18-16(23)12-25-22(27-18)29-8-4-2-3-5-9-29/h6-7,10,12,15H,2-5,8-9H2,1H3,(H,26,28,31)