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

Systemtic Name: 3-(5-chloranyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(5-chloro-2-pyrrolidin-1-yl-pyrimidin-4-yl)-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxo-propanenitrile CAS Name: 3-[5-chloro-2-(1-pyrrolidinyl)-4-pyrimidinyl]-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxopropanenitrile IUPAC Name: 3-(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxopropanenitrile Traditional Name: 3-(5-chloro-2-pyrrolidino-pyrimidin-4-yl)-3-keto-2-(4-keto-6-methyl-1H-quinazolin-2-yl)propionitrile Formula: C20H17ClN6O2 MolecularWeight: 408.84098

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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)N4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=NC2=O)C(C#N)C(=O)C3=NC(=NC=C3Cl)N4CCCC4

InChI

InChI=1S/C20H17ClN6O2/c1-11-4-5-15-12(8-11)19(29)26-18(24-15)13(9-22)17(28)16-14(21)10-23-20(25-16)27-6-2-3-7-27/h4-5,8,10,13H,2-3,6-7H2,1H3,(H,24,26,29)