ethyl (4S)-6-[(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

InChI

InChI=1S/C21H21N5O4S2/c1-3-30-19(28)15-11(2)23-20(29)24-14(15)10-32-21-25-17-16(18(27)26(21)22)13(9-31-17)12-7-5-4-6-8-12/h4-9,11H,3,10,22H2,1-2H3,(H2,23,24,29)/t11-/m0/s1