4-(1-oxidanylpropan-2-ylamino)-2-(phenylmethylsulfanyl)-8H-pyrimido[5,4-b][1,4]thiazin-7-one

Systemtic Name: 4-(1-oxidanylpropan-2-ylamino)-2-(phenylmethylsulfanyl)-8H-pyrimido[5,4-b][1,4]thiazin-7-one Openeye Name: 2-benzylsulfanyl-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pyrimido[5,4-b][1,4]thiazin-7-one CAS Name: 4-(1-hydroxypropan-2-ylamino)-2-(phenylmethylthio)-8H-pyrimido[5,4-b][1,4]thiazin-7-one IUPAC Name: 2-benzylsulfanyl-4-(1-hydroxypropan-2-ylamino)-8H-pyrimido[5,4-b][1,4]thiazin-7-one Traditional Name: 2-(benzylthio)-4-[(2-hydroxy-1-methyl-ethyl)amino]-8H-pyrimido[5,4-b][1,4]thiazin-7-one Formula: C16H18N4O2S2 MolecularWeight: 362.46972

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=NC(=NC2=C1SCC(=O)N2)SCC3=CC=CC=C3

Isomeric SMILES

CC(CO)NC1=NC(=NC2=C1SCC(=O)N2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2S2/c1-10(7-21)17-14-13-15(18-12(22)9-23-13)20-16(19-14)24-8-11-5-3-2-4-6-11/h2-6,10,21H,7-9H2,1H3,(H2,17,18,19,20,22)