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

Systemtic Name: 5-nitro-N4,N4-bis(phenylmethyl)-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N4-bis(phenylmethyl)-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: dibenzyl-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amine Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H30N6O2/c32-31(33)23-24(26-14-17-29-15-8-3-9-16-29)27-20-28-25(23)30(18-21-10-4-1-5-11-21)19-22-12-6-2-7-13-22/h1-2,4-7,10-13,20H,3,8-9,14-19H2,(H,26,27,28)