ethyl 4-azanyl-2-[(2R)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(2R)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1R)-2-[4-(2,2-dimethylpropanoylamino)phenyl]-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(2R)-1-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2R)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(1R)-2-keto-1-methyl-2-[4-(pivaloylamino)phenyl]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-6-29-18(27)15-11-23-20(25-17(15)22)30-12(2)16(26)13-7-9-14(10-8-13)24-19(28)21(3,4)5/h7-12H,6H2,1-5H3,(H,24,28)(H2,22,23,25)/t12-/m1/s1