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

Systemtic Name: ethyl 4-azanyl-2-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1R)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(1R)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)S[C@H](C)C(=O)C2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C19H20N4O3S/c1-4-26-18(25)13-9-21-19(23-17(13)20)27-11(3)16(24)15-10(2)22-14-8-6-5-7-12(14)15/h5-9,11,22H,4H2,1-3H3,(H2,20,21,23)/t11-/m1/s1