(8S,8aR)-6-azanyl-2-propan-2-yl-8-thiophen-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (8S,8aR)-6-azanyl-2-propan-2-yl-8-thiophen-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8S,8aR)-6-amino-2-isopropyl-8-(2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8S,8aR)-6-amino-2-propan-2-yl-8-thiophen-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8S,8aR)-6-amino-2-propan-2-yl-8-thiophen-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8S,8aR)-6-amino-2-isopropyl-8-(2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C19H19N5S MolecularWeight: 349.45266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3

Isomeric SMILES

CC(C)N1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3

InChI

InChI=1S/C19H19N5S/c1-12(2)24-6-5-13-14(8-20)18(23)19(10-21,11-22)17(15(13)9-24)16-4-3-7-25-16/h3-5,7,12,15,17H,6,9,23H2,1-2H3/t15-,17+/m0/s1