6-morpholin-4-yl-5-nitro-N2-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine

Systemtic Name: 6-morpholin-4-yl-5-nitro-N2-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine Openeye Name: N2-(4-benzyloxyphenyl)-6-morpholino-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(4-morpholinyl)-5-nitro-N2-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 6-morpholin-4-yl-5-nitro-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine Traditional Name: (4-amino-6-morpholino-5-nitro-pyrimidin-2-yl)-(4-benzoxyphenyl)amine Formula: C21H22N6O4 MolecularWeight: 422.43718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=NC(=N2)NC3=CC=C(C=C3)OCC4=CC=CC=C4)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C(=NC(=N2)NC3=CC=C(C=C3)OCC4=CC=CC=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4/c22-19-18(27(28)29)20(26-10-12-30-13-11-26)25-21(24-19)23-16-6-8-17(9-7-16)31-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H3,22,23,24,25)