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

Systemtic Name: 2-(dimethylaminomethyl)-8-(4-ethylphenyl)-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-(dimethylaminomethyl)-8-(4-ethylphenyl)-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-(dimethylaminomethyl)-8-(4-ethylphenyl)-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-(dimethylaminomethyl)-8-(4-ethylphenyl)-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-(dimethylaminomethyl)-8-(4-ethylphenyl)-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC3=C(C=C2)SC4=C3NC(=NC4=O)CN(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC3=C(C=C2)SC4=C3NC(=NC4=O)CN(C)C

InChI

InChI=1S/C21H21N3OS/c1-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)19-20(26-17)21(25)23-18(22-19)12-24(2)3/h5-11H,4,12H2,1-3H3,(H,22,23,25)