N-butyl-7-oxidanylidene-6-(phenylmethyl)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide

Systemtic Name: N-butyl-7-oxidanylidene-6-(phenylmethyl)-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide Openeye Name: 6-benzyl-N-butyl-7-oxo-isothiazolo[4,3-d]pyrimidine-3-carboxamide CAS Name: N-butyl-7-oxo-6-(phenylmethyl)-3-isothiazolo[4,3-d]pyrimidinecarboxamide IUPAC Name: 6-benzyl-N-butyl-7-oxo-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide Traditional Name: 6-benzyl-N-butyl-7-keto-isothiazolo[4,3-d]pyrimidine-3-carboxamide Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C2C(=NS1)C(=O)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=C2C(=NS1)C(=O)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2S/c1-2-3-9-18-16(22)15-13-14(20-24-15)17(23)21(11-19-13)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,18,22)