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

Systemtic Name: 3-[5-chloranyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-oxidanylidene-2-(4-oxidanylidene-1H-quinazolin-2-yl)propanenitrile Openeye Name: 3-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)propanenitrile CAS Name: 3-[5-chloro-2-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)propanenitrile IUPAC Name: 3-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-oxo-2-(4-oxo-1H-quinazolin-2-yl)propanenitrile Traditional Name: 3-[5-chloro-2-(4-methylpiperazino)pyrimidin-4-yl]-3-keto-2-(4-keto-1H-quinazolin-2-yl)propionitrile Formula: C20H18ClN7O2 MolecularWeight: 423.85562

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C(=N2)C(=O)C(C#N)C3=NC(=O)C4=CC=CC=C4N3)Cl

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C(=N2)C(=O)C(C#N)C3=NC(=O)C4=CC=CC=C4N3)Cl

InChI

InChI=1S/C20H18ClN7O2/c1-27-6-8-28(9-7-27)20-23-11-14(21)16(25-20)17(29)13(10-22)18-24-15-5-3-2-4-12(15)19(30)26-18/h2-5,11,13H,6-9H2,1H3,(H,24,26,30)