N-[3-[(2-azanylpyrimidin-5-yl)carbamoyl]-4-methyl-phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[3-[(2-azanylpyrimidin-5-yl)carbamoyl]-4-methyl-phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[3-[(2-aminopyrimidin-5-yl)carbamoyl]-4-methyl-phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[3-[[(2-amino-5-pyrimidinyl)amino]-oxomethyl]-4-methylphenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[3-[(2-aminopyrimidin-5-yl)carbamoyl]-4-methylphenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[3-[(2-aminopyrimidin-5-yl)carbamoyl]-4-methyl-phenyl]-1,3-benzothiazole-6-carboxamide Formula: C20H16N6O2S MolecularWeight: 404.44504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CS3)C(=O)NC4=CN=C(N=C4)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CS3)C(=O)NC4=CN=C(N=C4)N

InChI

InChI=1S/C20H16N6O2S/c1-11-2-4-13(7-15(11)19(28)26-14-8-22-20(21)23-9-14)25-18(27)12-3-5-16-17(6-12)29-10-24-16/h2-10H,1H3,(H,25,27)(H,26,28)(H2,21,22,23)