methyl 3-[[4-(2-azanyl-4-phenyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzoate

Systemtic Name: methyl 3-[[4-(2-azanyl-4-phenyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 3-[[4-(2-amino-4-phenyl-thiazol-5-yl)pyrimidin-2-yl]amino]benzoate CAS Name: 3-[[4-(2-amino-4-phenyl-5-thiazolyl)-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-amino-4-phenyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzoate Traditional Name: 3-[[4-(2-amino-4-phenyl-thiazol-5-yl)pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=C(N=C(S3)N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=C(N=C(S3)N)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O2S/c1-28-19(27)14-8-5-9-15(12-14)24-21-23-11-10-16(25-21)18-17(26-20(22)29-18)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,26)(H,23,24,25)