2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one CAS Name: 2-[[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-4-pyrimido[2,1-b][1,3]benzothiazolone IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Traditional Name: 2-[[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]methyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Formula: C15H11N5O2S2 MolecularWeight: 357.41014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)CSC4=NC(=O)C=C(N4)N

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)CSC4=NC(=O)C=C(N4)N

InChI

InChI=1S/C15H11N5O2S2/c16-11-6-12(21)19-14(18-11)23-7-8-5-13(22)20-9-3-1-2-4-10(9)24-15(20)17-8/h1-6H,7H2,(H3,16,18,19,21)