methyl 4-[2-(2-azanyl-4-oxidanylidene-1,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl)ethyl]benzoate

Systemtic Name: methyl 4-[2-(2-azanyl-4-oxidanylidene-1,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl)ethyl]benzoate Openeye Name: methyl 4-[2-(2-amino-4-oxo-1,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl)ethyl]benzoate CAS Name: 4-[2-(2-amino-4-oxo-1,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-amino-4-oxo-1,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl)ethyl]benzoate Traditional Name: 4-[2-(2-amino-4-keto-1,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl)ethyl]benzoic acid methyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCC2CNC3=C(S2)C(=O)N=C(N3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCC2CNC3=C(S2)C(=O)N=C(N3)N

InChI

InChI=1S/C16H18N4O3S/c1-23-15(22)10-5-2-9(3-6-10)4-7-11-8-18-13-12(24-11)14(21)20-16(17)19-13/h2-3,5-6,11H,4,7-8H2,1H3,(H4,17,18,19,20,21)