2-[3-methoxy-4-(3-phenoxypropoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[3-methoxy-4-(3-phenoxypropoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[3-methoxy-4-(3-phenoxypropoxy)phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[3-methoxy-4-(3-phenoxypropoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[3-methoxy-4-(3-phenoxypropoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[3-methoxy-4-(3-phenoxypropoxy)phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCCCOC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)OCCCOC5=CC=CC=C5

InChI

InChI=1S/C26H26N2O4S/c1-30-21-16-17(12-13-20(21)32-15-7-14-31-18-8-3-2-4-9-18)24-27-25(29)23-19-10-5-6-11-22(19)33-26(23)28-24/h2-4,8-9,12-13,16H,5-7,10-11,14-15H2,1H3,(H,27,28,29)