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

Systemtic Name: 4-methyl-5-[2-[(3-nitrophenyl)amino]pyrimidin-4-yl]-3H-1,3-thiazol-2-one Openeye Name: 4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]-3H-thiazol-2-one CAS Name: 4-methyl-5-[2-(3-nitroanilino)-4-pyrimidinyl]-3H-thiazol-2-one IUPAC Name: 4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]-3H-1,3-thiazol-2-one Traditional Name: 4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]-4-thiazolin-2-one Formula: C14H11N5O3S MolecularWeight: 329.33384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=O)N1)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=O)N1)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O3S/c1-8-12(23-14(20)16-8)11-5-6-15-13(18-11)17-9-3-2-4-10(7-9)19(21)22/h2-7H,1H3,(H,16,20)(H,15,17,18)