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

Systemtic Name: (3S)-2-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3)C(=O)N

InChI

InChI=1S/C21H18N4O2S2/c22-19(26)15-8-12-4-1-2-5-13(12)9-25(15)10-17-23-20(27)18-14(11-29-21(18)24-17)16-6-3-7-28-16/h1-7,11,15H,8-10H2,(H2,22,26)(H,23,24,27)/t15-/m0/s1