ethyl 4-azanyl-2-[(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(3E)-2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(3E)-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(3E)-2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(3E)-2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)/C=C/2\C(C3=CC=CC=C3N2C)(C)C

InChI

InChI=1S/C21H24N4O3S/c1-5-28-19(27)14-11-23-20(24-18(14)22)29-12-13(26)10-17-21(2,3)15-8-6-7-9-16(15)25(17)4/h6-11H,5,12H2,1-4H3,(H2,22,23,24)/b17-10+