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

Systemtic Name: ethyl 4-azanyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C18H18N4O3S/c1-3-25-17(24)12-8-20-18(22-16(12)19)26-9-14(23)15-10(2)21-13-7-5-4-6-11(13)15/h4-8,21H,3,9H2,1-2H3,(H2,19,20,22)