N6-(3-morpholin-4-ylpropyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-morpholin-4-ylpropyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(3-morpholinopropyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-[3-(4-morpholinyl)propyl]-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(3-morpholin-4-ylpropyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C23H27N7O3 MolecularWeight: 449.50558

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N7O3/c31-30(32)21-22(25-11-6-12-28-13-15-33-16-14-28)26-18-27-23(21)29(20-9-4-5-10-24-20)17-19-7-2-1-3-8-19/h1-5,7-10,18H,6,11-17H2,(H,25,26,27)