ethyl 4-azanyl-2-[2-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2C3=C(CC(CC3)C)C4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2C3=C(CC(CC3)C)C4=CC=CC=C42

InChI

InChI=1S/C22H24N4O3S/c1-3-29-21(28)16-11-24-22(25-20(16)23)30-12-19(27)26-17-7-5-4-6-14(17)15-10-13(2)8-9-18(15)26/h4-7,11,13H,3,8-10,12H2,1-2H3,(H2,23,24,25)