ethyl 3-azanyl-6-(1,3-benzodioxol-5-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-azanyl-6-(1,3-benzodioxol-5-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-amino-6-(1,3-benzodioxol-5-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-amino-6-(1,3-benzodioxol-5-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-6-(1,3-benzodioxol-5-yl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-amino-6-(1,3-benzodioxol-5-yl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC3=C(C=C2)OCO3)N)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC3=C(C=C2)OCO3)N)C

InChI

InChI=1S/C15H17N3O4S/c1-3-20-14(19)12-8(2)18(16)15(23)17-13(12)9-4-5-10-11(6-9)22-7-21-10/h4-6,13H,3,7,16H2,1-2H3,(H,17,23)