1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-6-oxidanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-6-oxidanylidene-pyrimidine-5-carbonitrile Openeye Name: 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-6-oxo-pyrimidine-5-carbonitrile CAS Name: 1-(4-chlorophenyl)-4-(4-methyl-1-piperazinyl)-6-oxo-5-pyrimidinecarbonitrile IUPAC Name: 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-6-oxopyrimidine-5-carbonitrile Traditional Name: 1-(4-chlorophenyl)-6-keto-4-(4-methylpiperazino)pyrimidine-5-carbonitrile Formula: C16H16ClN5O MolecularWeight: 329.78414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O/c1-20-6-8-21(9-7-20)15-14(10-18)16(23)22(11-19-15)13-4-2-12(17)3-5-13/h2-5,11H,6-9H2,1H3