ethyl 4-azanyl-2-[(2R)-1-oxidanylidene-1-phenylazanyl-butan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(2R)-1-oxidanylidene-1-phenylazanyl-butan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1R)-1-(phenylcarbamoyl)propyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(2R)-1-anilino-1-oxobutan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2R)-1-anilino-1-oxobutan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(1R)-1-(phenylcarbamoyl)propyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NC=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=CC=C1)SC2=NC=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C17H20N4O3S/c1-3-13(15(22)20-11-8-6-5-7-9-11)25-17-19-10-12(14(18)21-17)16(23)24-4-2/h5-10,13H,3-4H2,1-2H3,(H,20,22)(H2,18,19,21)/t13-/m1/s1