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

Systemtic Name: 3-[(4-butoxyphenyl)carbamoyl]-[1,2]thiazolo[4,3-d]pyrimidin-7-olate Openeye Name: 3-[(4-butoxyphenyl)carbamoyl]isothiazolo[4,3-d]pyrimidin-7-olate CAS Name: 3-[(4-butoxyanilino)-oxomethyl]-7-isothiazolo[4,3-d]pyrimidinolate IUPAC Name: 3-[(4-butoxyphenyl)carbamoyl]-[1,2]thiazolo[4,3-d]pyrimidin-7-olate Traditional Name: 3-[(4-butoxyphenyl)carbamoyl]isothiazolo[4,3-d]pyrimidin-7-olate Formula: C16H15N4O3S- MolecularWeight: 343.3803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3S/c1-2-3-8-23-11-6-4-10(5-7-11)19-16(22)14-12-13(20-24-14)15(21)18-9-17-12/h4-7,9H,2-3,8H2,1H3,(H,19,22)(H,17,18,21)/p-1