2-(1,3-benzothiazol-2-ylamino)-N-(4-ethoxyphenyl)-4-methyl-pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-ethoxyphenyl)-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-ethoxyphenyl)-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-ethoxyphenyl)-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-N-(4-ethoxyphenyl)-4-methylpyrimidine-5-carboxamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4-methyl-N-p-phenetyl-pyrimidine-5-carboxamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2C)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2C)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N5O2S/c1-3-28-15-10-8-14(9-11-15)24-19(27)16-12-22-20(23-13(16)2)26-21-25-17-6-4-5-7-18(17)29-21/h4-12H,3H2,1-2H3,(H,24,27)(H,22,23,25,26)