5-nitro-N4-(4-phenoxyphenyl)-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(4-phenoxyphenyl)-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H26N6O3/c30-29(31)21-22(24-13-16-28-14-5-2-6-15-28)25-17-26-23(21)27-18-9-11-20(12-10-18)32-19-7-3-1-4-8-19/h1,3-4,7-12,17H,2,5-6,13-16H2,(H2,24,25,26,27)