ethyl 5-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxylate

Systemtic Name: ethyl 5-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxylate Openeye Name: ethyl 5-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxylate CAS Name: 5-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]amino]-3-(methylthio)-1,2,4-triazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]amino]-3-methylsulfanyl-1,2,4-triazine-6-carboxylate Traditional Name: 5-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]amino]-3-(methylthio)-1,2,4-triazine-6-carboxylic acid ethyl ester Formula: C19H24N6O2S MolecularWeight: 400.49786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=N1)SC)NC2=CC3=C(C=C2)NC=C3CCN(C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=N1)SC)NC2=CC3=C(C=C2)NC=C3CCN(C)C

InChI

InChI=1S/C19H24N6O2S/c1-5-27-18(26)16-17(22-19(28-4)24-23-16)21-13-6-7-15-14(10-13)12(11-20-15)8-9-25(2)3/h6-7,10-11,20H,5,8-9H2,1-4H3,(H,21,22,24)