N2-(4-ethoxyphenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine

Systemtic Name: N2-(4-ethoxyphenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine Openeye Name: 6-(4-benzyl-1-piperidyl)-N2-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-ethoxyphenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-2-N-(4-ethoxyphenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-benzylpiperidino)-5-nitro-pyrimidin-2-yl]-p-phenetyl-amine Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N6O3/c1-2-33-20-10-8-19(9-11-20)26-24-27-22(25)21(30(31)32)23(28-24)29-14-12-18(13-15-29)16-17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H3,25,26,27,28)