3-azanyl-2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-3-amino-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-3-amino-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-3-amino-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-3-amino-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

InChI

InChI=1S/C22H20N4O3S2/c1-11-17(13(3)27)12(2)24-19(11)16(28)10-31-22-25-20-18(21(29)26(22)23)15(9-30-20)14-7-5-4-6-8-14/h4-9,24H,10,23H2,1-3H3