(3S)-2-(5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(5,6-dimethyl-2-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H20N4OS2 MolecularWeight: 420.5504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC4=CC=CC=C4CC3C(=O)N)C5=CC=CS5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC4=CC=CC=C4C[C@H]3C(=O)N)C5=CC=CS5)C

InChI

InChI=1S/C22H20N4OS2/c1-12-13(2)29-22-18(12)21(24-20(25-22)17-8-5-9-28-17)26-11-15-7-4-3-6-14(15)10-16(26)19(23)27/h3-9,16H,10-11H2,1-2H3,(H2,23,27)/t16-/m0/s1