3-azanyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[(2,5-dimethylphenyl)methylthio]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-2-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[(2,5-dimethylbenzyl)thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N

InChI

InChI=1S/C21H19N3OS2/c1-13-8-9-14(2)16(10-13)11-27-21-23-19-18(20(25)24(21)22)17(12-26-19)15-6-4-3-5-7-15/h3-10,12H,11,22H2,1-2H3