ethyl (4R)-6-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CC=C2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C18H20N6O3S/c1-2-27-16(25)14-11(9-28-18-22-12(19)8-13(20)23-18)21-17(26)24-15(14)10-6-4-3-5-7-10/h3-8,15H,2,9H2,1H3,(H2,21,24,26)(H4,19,20,22,23)/t15-/m1/s1