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

Systemtic Name: 5-methyl-3-[(4-phenylmethoxyphenyl)carbamoyl]-[1,2]thiazolo[4,3-d]pyrimidin-7-olate Openeye Name: 3-[(4-benzyloxyphenyl)carbamoyl]-5-methyl-isothiazolo[4,3-d]pyrimidin-7-olate CAS Name: 5-methyl-3-[oxo-(4-phenylmethoxyanilino)methyl]-7-isothiazolo[4,3-d]pyrimidinolate IUPAC Name: 5-methyl-3-[(4-phenylmethoxyphenyl)carbamoyl]-[1,2]thiazolo[4,3-d]pyrimidin-7-olate Traditional Name: 3-[(4-benzoxyphenyl)carbamoyl]-5-methyl-isothiazolo[4,3-d]pyrimidin-7-olate Formula: C20H15N4O3S- MolecularWeight: 391.4231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(SN=C2C(=N1)[O-])C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(SN=C2C(=N1)[O-])C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C20H16N4O3S/c1-12-21-16-17(19(25)22-12)24-28-18(16)20(26)23-14-7-9-15(10-8-14)27-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,23,26)(H,21,22,25)/p-1