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

Systemtic Name: 4-[[4-[2-hydroxyethyl(methyl)amino]-5-nitro-pyrimidin-2-yl]amino]-N-phenyl-benzamide Openeye Name: 4-[[4-[2-hydroxyethyl(methyl)amino]-5-nitro-pyrimidin-2-yl]amino]-N-phenyl-benzamide CAS Name: 4-[[4-[2-hydroxyethyl(methyl)amino]-5-nitro-2-pyrimidinyl]amino]-N-phenylbenzamide IUPAC Name: 4-[[4-[2-hydroxyethyl(methyl)amino]-5-nitropyrimidin-2-yl]amino]-N-phenylbenzamide Traditional Name: 4-[[4-[2-hydroxyethyl(methyl)amino]-5-nitro-pyrimidin-2-yl]amino]-N-phenyl-benzamide Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CN(CCO)C1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H20N6O4/c1-25(11-12-27)18-17(26(29)30)13-21-20(24-18)23-16-9-7-14(8-10-16)19(28)22-15-5-3-2-4-6-15/h2-10,13,27H,11-12H2,1H3,(H,22,28)(H,21,23,24)