propan-2-yl 2-ethylsulfanyl-7-methylidene-4-oxidanylidene-5-pyridin-1-ium-3-yl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: propan-2-yl 2-ethylsulfanyl-7-methylidene-4-oxidanylidene-5-pyridin-1-ium-3-yl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-ethylsulfanyl-7-methylene-4-oxo-5-pyridin-1-ium-3-yl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(ethylthio)-7-methylene-4-oxo-5-(3-pyridin-1-iumyl)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-ethylsulfanyl-7-methylidene-4-oxo-5-pyridin-1-ium-3-yl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(ethylthio)-4-keto-7-methylene-5-pyridin-1-ium-3-yl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C2=C(N1)NC(=C)C(C2C3=C[NH+]=CC=C3)C(=O)OC(C)C

Isomeric SMILES

CCSC1=NC(=O)C2=C(N1)NC(=C)C(C2C3=C[NH+]=CC=C3)C(=O)OC(C)C

InChI

InChI=1S/C19H22N4O3S/c1-5-27-19-22-16-15(17(24)23-19)14(12-7-6-8-20-9-12)13(11(4)21-16)18(25)26-10(2)3/h6-10,13-14H,4-5H2,1-3H3,(H2,21,22,23,24)/p+1