2-oxidanyl-7-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-ium-6,8-dione

Systemtic Name: 2-oxidanyl-7-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-ium-6,8-dione Openeye Name: 2-hydroxy-7-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-ium-6,8-dione CAS Name: 2-hydroxy-7-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-ium-6,8-dione IUPAC Name: 2-hydroxy-7-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-ium-6,8-dione Traditional Name: 2-hydroxy-7-phenyl-7-propyl-3,4-dihydro-2H-pyrimido[6,1-b][1,3]thiazin-7-ium-6,8-quinone Formula: C16H19N2O3S+ MolecularWeight: 319.39866

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C(=O)C=C2N(C1=O)CCC(S2)O)C3=CC=CC=C3

Isomeric SMILES

CCC[N+]1(C(=O)C=C2N(C1=O)CCC(S2)O)C3=CC=CC=C3

InChI

InChI=1S/C16H19N2O3S/c1-2-10-18(12-6-4-3-5-7-12)14(19)11-13-17(16(18)21)9-8-15(20)22-13/h3-7,11,15,20H,2,8-10H2,1H3/q+1