4-methyl-3-(3-methylbutyl)-5-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one

Systemtic Name: 4-methyl-3-(3-methylbutyl)-5-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one Openeye Name: 3-isopentyl-4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]thiazol-2-one CAS Name: 4-methyl-3-(3-methylbutyl)-5-[2-(3-nitroanilino)-4-pyrimidinyl]-2-thiazolone IUPAC Name: 4-methyl-3-(3-methylbutyl)-5-[2-(3-nitroanilino)pyrimidin-4-yl]-1,3-thiazol-2-one Traditional Name: 3-isoamyl-4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]-4-thiazolin-2-one Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=O)N1CCC(C)C)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=O)N1CCC(C)C)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O3S/c1-12(2)8-10-23-13(3)17(28-19(23)25)16-7-9-20-18(22-16)21-14-5-4-6-15(11-14)24(26)27/h4-7,9,11-12H,8,10H2,1-3H3,(H,20,21,22)