ethyl 4-azanyl-2-[[(6R)-3-cyclopropyl-5-methoxycarbonyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidin-4-yl]methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[[(6R)-3-cyclopropyl-5-methoxycarbonyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidin-4-yl]methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[(6R)-3-cyclopropyl-5-methoxycarbonyl-2-oxo-6-phenyl-1,6-dihydropyrimidin-4-yl]methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(6R)-3-cyclopropyl-5-methoxycarbonyl-2-oxo-6-phenyl-1,6-dihydropyrimidin-4-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[(6R)-3-cyclopropyl-5-methoxycarbonyl-2-oxo-6-phenyl-1,6-dihydropyrimidin-4-yl]methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(6R)-5-carbomethoxy-3-cyclopropyl-2-keto-6-phenyl-1,6-dihydropyrimidin-4-yl]methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H25N5O5S MolecularWeight: 483.5401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=C([C@H](NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H25N5O5S/c1-3-33-20(29)15-11-25-22(27-19(15)24)34-12-16-17(21(30)32-2)18(13-7-5-4-6-8-13)26-23(31)28(16)14-9-10-14/h4-8,11,14,18H,3,9-10,12H2,1-2H3,(H,26,31)(H2,24,25,27)/t18-/m1/s1