4-[[4-[2-hydroxyethyl(methyl)amino]-5-nitro-pyrimidin-2-yl]amino]-N-(phenylmethyl)benzamide

Systemtic Name: 4-[[4-[2-hydroxyethyl(methyl)amino]-5-nitro-pyrimidin-2-yl]amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-4-[[4-[2-hydroxyethyl(methyl)amino]-5-nitro-pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-[2-hydroxyethyl(methyl)amino]-5-nitro-2-pyrimidinyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-[[4-[2-hydroxyethyl(methyl)amino]-5-nitropyrimidin-2-yl]amino]benzamide Traditional Name: N-benzyl-4-[[4-[2-hydroxyethyl(methyl)amino]-5-nitro-pyrimidin-2-yl]amino]benzamide Formula: C21H22N6O4 MolecularWeight: 422.43718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN(CCO)C1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H22N6O4/c1-26(11-12-28)19-18(27(30)31)14-23-21(25-19)24-17-9-7-16(8-10-17)20(29)22-13-15-5-3-2-4-6-15/h2-10,14,28H,11-13H2,1H3,(H,22,29)(H,23,24,25)