2-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-[(4-amino-6-methyl-2-pyrimidinyl)thio]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C14H14N4O3S2 MolecularWeight: 350.41596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCN2C(=O)C3=CC=CC=C3S2(=O)=O)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCCN2C(=O)C3=CC=CC=C3S2(=O)=O)N

InChI

InChI=1S/C14H14N4O3S2/c1-9-8-12(15)17-14(16-9)22-7-6-18-13(19)10-4-2-3-5-11(10)23(18,20)21/h2-5,8H,6-7H2,1H3,(H2,15,16,17)