N6-(3-morpholin-4-ylpropyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(3-morpholin-4-ylpropyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[3-(4-morpholinyl)propyl]-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H30N6O3/c32-31(33)23-24(26-12-7-13-29-14-16-34-17-15-29)27-20-28-25(23)30(18-21-8-3-1-4-9-21)19-22-10-5-2-6-11-22/h1-6,8-11,20H,7,12-19H2,(H,26,27,28)