6-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile

Systemtic Name: 6-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile Openeye Name: 6-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile CAS Name: 6-(4-methoxy-3-methylphenyl)-2-(1-piperazin-4-iumyl)-4-pyrimidinecarbonitrile IUPAC Name: 6-(4-methoxy-3-methylphenyl)-2-piperazin-4-ium-1-ylpyrimidine-4-carbonitrile Traditional Name: 6-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile Formula: C17H20N5O+ MolecularWeight: 310.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=NC(=C2)C#N)N3CC[NH2+]CC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=NC(=C2)C#N)N3CC[NH2+]CC3)OC

InChI

InChI=1S/C17H19N5O/c1-12-9-13(3-4-16(12)23-2)15-10-14(11-18)20-17(21-15)22-7-5-19-6-8-22/h3-4,9-10,19H,5-8H2,1-2H3/p+1