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

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-6-ethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C18H17ClN2O3S/c1-2-12-8-13-17(25-12)20-10-21(18(13)22)9-11-6-14(19)16-15(7-11)23-4-3-5-24-16/h6-8,10H,2-5,9H2,1H3