3-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-2-(6,8-dimethyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-2-(6,8-dimethyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-(5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-2-(6,8-dimethyl-4-oxo-1H-quinazolin-2-yl)-3-oxo-propanenitrile CAS Name: 3-[5-chloro-2-(methylthio)-4-pyrimidinyl]-2-(6,8-dimethyl-4-oxo-1H-quinazolin-2-yl)-3-oxopropanenitrile IUPAC Name: 3-(5-chloro-2-methylsulfanylpyrimidin-4-yl)-2-(6,8-dimethyl-4-oxo-1H-quinazolin-2-yl)-3-oxopropanenitrile Traditional Name: 3-[5-chloro-2-(methylthio)pyrimidin-4-yl]-3-keto-2-(4-keto-6,8-dimethyl-1H-quinazolin-2-yl)propionitrile Formula: C18H14ClN5O2S MolecularWeight: 399.85406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)N=C(N2)C(C#N)C(=O)C3=NC(=NC=C3Cl)SC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)N=C(N2)C(C#N)C(=O)C3=NC(=NC=C3Cl)SC)C

InChI

InChI=1S/C18H14ClN5O2S/c1-8-4-9(2)13-10(5-8)17(26)24-16(22-13)11(6-20)15(25)14-12(19)7-21-18(23-14)27-3/h4-5,7,11H,1-3H3,(H,22,24,26)