5-chloranyl-N-(2-methyl-3-nitro-phenyl)-2-(phenethylamino)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2-methyl-3-nitro-phenyl)-2-(phenethylamino)pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(2-methyl-3-nitro-phenyl)-2-(phenethylamino)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2-methyl-3-nitrophenyl)-2-(phenethylamino)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2-methyl-3-nitrophenyl)-2-(phenethylamino)pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(2-methyl-3-nitro-phenyl)-2-(phenethylamino)pyrimidine-4-carboxamide Formula: C20H18ClN5O3 MolecularWeight: 411.84162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=NC(=NC=C2Cl)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=NC(=NC=C2Cl)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H18ClN5O3/c1-13-16(8-5-9-17(13)26(28)29)24-19(27)18-15(21)12-23-20(25-18)22-11-10-14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3,(H,24,27)(H,22,23,25)