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

Systemtic Name: N4-(1-methoxypropan-2-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-methoxy-1-methyl-ethyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(1-methoxypropan-2-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1-methoxypropan-2-yl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: (2-methoxy-1-methyl-ethyl)-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(COC)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O4/c1-14(12-28-2)23-19-18(25(26)27)20(22-13-21-19)24-15-8-10-17(11-9-15)29-16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H2,21,22,23,24)