3-azanyl-6-(4-methylphenyl)-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-6-(4-methylphenyl)-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-amino-2-phenacylsulfanyl-6-(p-tolyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-amino-6-(4-methylphenyl)-2-(phenacylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-amino-6-(4-methylphenyl)-2-phenacylsulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-amino-2-(phenacylthio)-6-(p-tolyl)thieno[3,2-d]pyrimidin-4-one Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C21H17N3O2S2/c1-13-7-9-15(10-8-13)18-11-16-19(28-18)20(26)24(22)21(23-16)27-12-17(25)14-5-3-2-4-6-14/h2-11H,12,22H2,1H3