N-[4-[[6-[(5-chloranyl-2-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-[(5-chloranyl-2-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(5-chloro-2-methylanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(5-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C19H17ClN6O3 MolecularWeight: 412.82968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C19H17ClN6O3/c1-11-3-4-13(20)9-16(11)25-19-17(26(28)29)18(21-10-22-19)24-15-7-5-14(6-8-15)23-12(2)27/h3-10H,1-2H3,(H,23,27)(H2,21,22,24,25)