ethyl 4-azanyl-2-[1-oxidanylidene-1-(4-phenylbutan-2-ylamino)propan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[1-oxidanylidene-1-(4-phenylbutan-2-ylamino)propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[1-methyl-2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-1-methyl-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NC(C)CCC2=CC=CC=C2

InChI

InChI=1S/C20H26N4O3S/c1-4-27-19(26)16-12-22-20(24-17(16)21)28-14(3)18(25)23-13(2)10-11-15-8-6-5-7-9-15/h5-9,12-14H,4,10-11H2,1-3H3,(H,23,25)(H2,21,22,24)