2-[(6-azanyl-5-nitro-pyrimidin-4-yl)-[(4-methoxyphenyl)methyl]amino]-1-phenyl-ethanone

Systemtic Name: 2-[(6-azanyl-5-nitro-pyrimidin-4-yl)-[(4-methoxyphenyl)methyl]amino]-1-phenyl-ethanone Openeye Name: 2-[(6-amino-5-nitro-pyrimidin-4-yl)-[(4-methoxyphenyl)methyl]amino]-1-phenyl-ethanone CAS Name: 2-[(6-amino-5-nitro-4-pyrimidinyl)-[(4-methoxyphenyl)methyl]amino]-1-phenylethanone IUPAC Name: 2-[(6-amino-5-nitropyrimidin-4-yl)-[(4-methoxyphenyl)methyl]amino]-1-phenylethanone Traditional Name: 2-[(6-amino-5-nitro-pyrimidin-4-yl)-p-anisyl-amino]-1-phenyl-ethanone Formula: C20H19N5O4 MolecularWeight: 393.39596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC(=O)C2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC(=O)C2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N

InChI

InChI=1S/C20H19N5O4/c1-29-16-9-7-14(8-10-16)11-24(12-17(26)15-5-3-2-4-6-15)20-18(25(27)28)19(21)22-13-23-20/h2-10,13H,11-12H2,1H3,(H2,21,22,23)