3-(2-chlorophenyl)-5-(6-methyl-7-oxidanyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 3-(2-chlorophenyl)-5-(6-methyl-7-oxidanyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 3-(2-chlorophenyl)-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 3-(2-chlorophenyl)-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 3-(2-chlorophenyl)-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 3-(2-chlorophenyl)-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-5-ium-1-yl)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C2COC(C2=C1O)C3=C(N(C(=S)NC3=O)C4=CC=CC=C4Cl)[O-]

Isomeric SMILES

CC1=[NH+]C=C2COC(C2=C1O)C3=C(N(C(=S)NC3=O)C4=CC=CC=C4Cl)[O-]

InChI

InChI=1S/C18H14ClN3O4S/c1-8-14(23)12-9(6-20-8)7-26-15(12)13-16(24)21-18(27)22(17(13)25)11-5-3-2-4-10(11)19/h2-6,15,23,25H,7H2,1H3,(H,21,24,27)