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

Systemtic Name: N6-(2-morpholin-4-ylethyl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(2-morpholinoethyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(4-morpholinyl)ethyl]-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(2-morpholin-4-ylethyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N7O3/c30-29(31)20-21(24-10-11-27-12-14-32-15-13-27)25-17-26-22(20)28(19-8-4-5-9-23-19)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,24,25,26)