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

Systemtic Name: 1,3-dimethyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2,6-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 1,3-dimethyl-4-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2,6-dioxo-pyrimidine-5-carbonitrile CAS Name: 1,3-dimethyl-4-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2,6-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 1,3-dimethyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2,6-dioxopyrimidine-5-carbonitrile Traditional Name: 2,4-diketo-1,3-dimethyl-6-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile Formula: C19H24N5O2+ MolecularWeight: 354.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C(C(=O)N(C(=O)N3C)C)C#N

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C(C(=O)N(C(=O)N3C)C)C#N

InChI

InChI=1S/C19H23N5O2/c1-14-6-4-5-7-15(14)13-23-8-10-24(11-9-23)17-16(12-20)18(25)22(3)19(26)21(17)2/h4-7H,8-11,13H2,1-3H3/p+1