ethyl 4-azanyl-2-[(2-phenylazanyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(2-phenylazanyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(2-anilinothiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2-anilino-4-thiazolyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-anilinothiazol-4-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H17N5O2S2 MolecularWeight: 387.47918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CSC(=N2)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CSC(=N2)NC3=CC=CC=C3

InChI

InChI=1S/C17H17N5O2S2/c1-2-24-15(23)13-8-19-16(22-14(13)18)25-9-12-10-26-17(21-12)20-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,20,21)(H2,18,19,22)