2-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H27N3OS MolecularWeight: 417.56638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)NCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C25H27N3OS/c1-4-17-10-12-19(13-11-17)23(16(2)3)26-14-21-27-24(29)22-20(15-30-25(22)28-21)18-8-6-5-7-9-18/h5-13,15-16,23,26H,4,14H2,1-3H3,(H,27,28,29)/t23-/m0/s1