2-[[2-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-N-methyl-benzamide hydrochloride

Systemtic Name: 2-[[2-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-N-methyl-benzamide hydrochloride Openeye Name: 2-[[2-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]-N-methyl-benzamide hydrochloride CAS Name: 2-[[2-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]-N-methylbenzamide hydrochloride IUPAC Name: 2-[[2-(4-acetamidoanilino)-5-nitropyrimidin-4-yl]amino]-N-methylbenzamide hydrochloride Traditional Name: 2-[[2-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]-N-methyl-benzamide hydrochloride Formula: C20H20ClN7O4 MolecularWeight: 457.8703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)NC)[N+](=O)[O-].Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)NC)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H19N7O4.ClH/c1-12(28)23-13-7-9-14(10-8-13)24-20-22-11-17(27(30)31)18(26-20)25-16-6-4-3-5-15(16)19(29)21-2;/h3-11H,1-2H3,(H,21,29)(H,23,28)(H2,22,24,25,26);1H