3-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-6-ethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C16H13ClN2O3S/c1-2-10-5-11-15(23-10)18-7-19(16(11)20)6-9-3-12(17)14-13(4-9)21-8-22-14/h3-5,7H,2,6,8H2,1H3