2-(dimethylaminomethyl)-8-(4-dimethylaminophenyl)-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-(dimethylaminomethyl)-8-(4-dimethylaminophenyl)-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-(dimethylaminomethyl)-8-(4-dimethylaminophenyl)-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-(dimethylaminomethyl)-8-(4-dimethylaminophenyl)-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-(dimethylaminomethyl)-8-(4-dimethylaminophenyl)-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-(dimethylaminomethyl)-8-(4-dimethylaminophenyl)-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC(=O)C2=C(N1)C3=C(S2)C=CC(=C3)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CN(C)CC1=NC(=O)C2=C(N1)C3=C(S2)C=CC(=C3)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C21H22N4OS/c1-24(2)12-18-22-19-16-11-14(13-5-8-15(9-6-13)25(3)4)7-10-17(16)27-20(19)21(26)23-18/h5-11H,12H2,1-4H3,(H,22,23,26)