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

Systemtic Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitrile CAS Name: 4-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1,3-dimethyl-2,6-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile Traditional Name: 2,4-diketo-1,3-dimethyl-6-(4-p-anisylpiperazin-4-ium-1-yl)pyrimidine-5-carbonitrile Formula: C19H24N5O3+ MolecularWeight: 370.42556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H23N5O3/c1-21-17(16(12-20)18(25)22(2)19(21)26)24-10-8-23(9-11-24)13-14-4-6-15(27-3)7-5-14/h4-7H,8-11,13H2,1-3H3/p+1