N2-[2-(4-methoxyphenyl)-2-morpholin-4-yl-ethyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[2-(4-methoxyphenyl)-2-morpholin-4-yl-ethyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[2-(4-methoxyphenyl)-2-morpholino-ethyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-nitropyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-pyrimidin-2-yl)-[2-(4-methoxyphenyl)-2-morpholino-ethyl]amine Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC2=NC=C(C(=N2)N)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC2=NC=C(C(=N2)N)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C17H22N6O4/c1-26-13-4-2-12(3-5-13)14(22-6-8-27-9-7-22)10-19-17-20-11-15(23(24)25)16(18)21-17/h2-5,11,14H,6-10H2,1H3,(H3,18,19,20,21)