3-[(4-butoxyphenyl)carbamoyl]-5-methyl-[1,2]thiazolo[4,3-d]pyrimidin-7-olate

Systemtic Name: 3-[(4-butoxyphenyl)carbamoyl]-5-methyl-[1,2]thiazolo[4,3-d]pyrimidin-7-olate Openeye Name: 3-[(4-butoxyphenyl)carbamoyl]-5-methyl-isothiazolo[4,3-d]pyrimidin-7-olate CAS Name: 3-[(4-butoxyanilino)-oxomethyl]-5-methyl-7-isothiazolo[4,3-d]pyrimidinolate IUPAC Name: 3-[(4-butoxyphenyl)carbamoyl]-5-methyl-[1,2]thiazolo[4,3-d]pyrimidin-7-olate Traditional Name: 3-[(4-butoxyphenyl)carbamoyl]-5-methyl-isothiazolo[4,3-d]pyrimidin-7-olate Formula: C17H17N4O3S- MolecularWeight: 357.40688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2=C3C(=NS2)C(=NC(=N3)C)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2=C3C(=NS2)C(=NC(=N3)C)[O-]

InChI

InChI=1S/C17H18N4O3S/c1-3-4-9-24-12-7-5-11(6-8-12)20-17(23)15-13-14(21-25-15)16(22)19-10(2)18-13/h5-8H,3-4,9H2,1-2H3,(H,20,23)(H,18,19,22)/p-1