6-methyl-5-[(2S)-2-methylbutyl]-2-(3-phenylpropylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(3-phenylpropylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(3-phenylpropylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(3-phenylpropylthio)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(3-phenylpropylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-[(2S)-2-methylbutyl]-2-(3-phenylpropylthio)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H26N2OS2 MolecularWeight: 386.57394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCCCC3=CC=CC=C3)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC2=C1C(=O)NC(=N2)SCCCC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2OS2/c1-4-14(2)13-17-15(3)26-20-18(17)19(24)22-21(23-20)25-12-8-11-16-9-6-5-7-10-16/h5-7,9-10,14H,4,8,11-13H2,1-3H3,(H,22,23,24)/t14-/m0/s1