N4-(3,4-dimethylphenyl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4,6-diamine

Systemtic Name: N4-(3,4-dimethylphenyl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4,6-diamine Openeye Name: 2-(4-benzyl-1-piperidyl)-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3,4-dimethylphenyl)-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-4,6-diamine IUPAC Name: 2-(4-benzylpiperidin-1-yl)-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(3,4-dimethylphenyl)amine Formula: C24H28N6O2 MolecularWeight: 432.51812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H28N6O2/c1-16-8-9-20(14-17(16)2)26-23-21(30(31)32)22(25)27-24(28-23)29-12-10-19(11-13-29)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H3,25,26,27,28)