4-isoquinolin-7-yloxy-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Systemtic Name: 4-isoquinolin-7-yloxy-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 4-(7-isoquinolyloxy)-2,7-dimethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 4-(7-isoquinolinyloxy)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 4-isoquinolin-7-yloxy-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 4-(7-isoquinolyloxy)-2,7-dimethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=NC(=NC(=C23)OC4=CC5=C(C=C4)C=CN=C5)C

Isomeric SMILES

CC1CCC2=C(C1)SC3=NC(=NC(=C23)OC4=CC5=C(C=C4)C=CN=C5)C

InChI

InChI=1S/C21H19N3OS/c1-12-3-6-17-18(9-12)26-21-19(17)20(23-13(2)24-21)25-16-5-4-14-7-8-22-11-15(14)10-16/h4-5,7-8,10-12H,3,6,9H2,1-2H3