1,3-dimethyl-2,4-bis(oxidanylidene)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carbonitrile

Systemtic Name: 1,3-dimethyl-2,4-bis(oxidanylidene)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carbonitrile Openeye Name: 4-(4-benzylpiperazin-1-yl)-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitrile CAS Name: 1,3-dimethyl-2,4-dioxo-6-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-benzylpiperazin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile Traditional Name: 4-(4-benzylpiperazino)-2,6-diketo-1,3-dimethyl-pyrimidine-5-carbonitrile Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O2/c1-20-16(15(12-19)17(24)21(2)18(20)25)23-10-8-22(9-11-23)13-14-6-4-3-5-7-14/h3-7H,8-11,13H2,1-2H3