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

Systemtic Name: 3-[5-chloranyl-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(6-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)-5-chloro-pyrimidin-4-yl]-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxo-propanenitrile CAS Name: 3-[5-chloro-2-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxopropanenitrile IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-5-chloropyrimidin-4-yl]-2-(6-methyl-4-oxo-1H-quinazolin-2-yl)-3-oxopropanenitrile Traditional Name: 3-[2-(4-benzylpiperazino)-5-chloro-pyrimidin-4-yl]-3-keto-2-(4-keto-6-methyl-1H-quinazolin-2-yl)propionitrile Formula: C27H24ClN7O2 MolecularWeight: 513.97816

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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)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=NC2=O)C(C#N)C(=O)C3=NC(=NC=C3Cl)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H24ClN7O2/c1-17-7-8-22-19(13-17)26(37)33-25(31-22)20(14-29)24(36)23-21(28)15-30-27(32-23)35-11-9-34(10-12-35)16-18-5-3-2-4-6-18/h2-8,13,15,20H,9-12,16H2,1H3,(H,31,33,37)