2-[(2-butylsulfanylphenyl)amino]-4-methoxy-N-(2H-1,2,3,4-tetrazol-5-yl)pyrimidine-5-carboxamide

Systemtic Name: 2-[(2-butylsulfanylphenyl)amino]-4-methoxy-N-(2H-1,2,3,4-tetrazol-5-yl)pyrimidine-5-carboxamide Openeye Name: 2-(2-butylsulfanylanilino)-4-methoxy-N-(2H-tetrazol-5-yl)pyrimidine-5-carboxamide CAS Name: 2-[2-(butylthio)anilino]-4-methoxy-N-(2H-tetrazol-5-yl)-5-pyrimidinecarboxamide IUPAC Name: 2-(2-butylsulfanylanilino)-4-methoxy-N-(2H-tetrazol-5-yl)pyrimidine-5-carboxamide Traditional Name: 2-[2-(butylthio)anilino]-4-methoxy-N-(2H-tetrazol-5-yl)pyrimidine-5-carboxamide Formula: C17H20N8O2S MolecularWeight: 400.4581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC=C1NC2=NC=C(C(=N2)OC)C(=O)NC3=NNN=N3

Isomeric SMILES

CCCCSC1=CC=CC=C1NC2=NC=C(C(=N2)OC)C(=O)NC3=NNN=N3

InChI

InChI=1S/C17H20N8O2S/c1-3-4-9-28-13-8-6-5-7-12(13)19-16-18-10-11(15(21-16)27-2)14(26)20-17-22-24-25-23-17/h5-8,10H,3-4,9H2,1-2H3,(H,18,19,21)(H2,20,22,23,24,25,26)