3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thieno[2,3-d]pyrimidin-4-one Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CN3C=NC4=C(C3=O)C=CS4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CN3C=NC4=C(C3=O)C=CS4)Cl)OC1

InChI

InChI=1S/C16H13ClN2O3S/c17-12-6-10(7-13-14(12)22-4-1-3-21-13)8-19-9-18-15-11(16(19)20)2-5-23-15/h2,5-7,9H,1,3-4,8H2