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

Systemtic Name: N4-(4-ethoxyphenyl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]pyrimidine-4,6-diamine Openeye Name: 2-(4-benzyl-1-piperidyl)-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-ethoxyphenyl)-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]pyrimidine-4,6-diamine IUPAC Name: 2-(4-benzylpiperidin-1-yl)-4-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-benzylpiperidino)-5-nitro-pyrimidin-4-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(=NC(=C2[N+](=O)[O-])N)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N6O3/c1-2-33-20-10-8-19(9-11-20)26-23-21(30(31)32)22(25)27-24(28-23)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)