3-azanyl-5-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-5-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-5-(4-methylphenyl)-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-5-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[[2-keto-2-(p-tolyl)ethyl]thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)C)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)C)N

InChI

InChI=1S/C22H19N3O2S2/c1-13-3-7-15(8-4-13)17-11-28-20-19(17)21(27)25(23)22(24-20)29-12-18(26)16-9-5-14(2)6-10-16/h3-11H,12,23H2,1-2H3