N6-(1-methoxypropan-2-yl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(1-methoxypropan-2-yl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(2-methoxy-1-methyl-ethyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(1-methoxypropan-2-yl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(1-methoxypropan-2-yl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=C(C(=NC=N1)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(COC)NC1=C(C(=NC=N1)N(CC2=CC=CC=C2)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3/c1-15(13-29-2)24-19-18(26(27)28)20(23-14-22-19)25(17-10-6-7-11-21-17)12-16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,22,23,24)