(3S)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(6-phenyl-4-thieno[2,3-d]pyrimidinyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C22H18N4OS/c23-20(27)18-10-15-8-4-5-9-16(15)12-26(18)21-17-11-19(14-6-2-1-3-7-14)28-22(17)25-13-24-21/h1-9,11,13,18H,10,12H2,(H2,23,27)/t18-/m0/s1