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

Systemtic Name: ethyl 4-azanyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2-methylindolin-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(2-methylindolin-1-yl)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2C(CC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2C(CC3=CC=CC=C32)C

InChI

InChI=1S/C18H20N4O3S/c1-3-25-17(24)13-9-20-18(21-16(13)19)26-10-15(23)22-11(2)8-12-6-4-5-7-14(12)22/h4-7,9,11H,3,8,10H2,1-2H3,(H2,19,20,21)