3-[(6-chloranyl-1H-benzimidazol-2-yl)methyl]-6-propyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(6-chloranyl-1H-benzimidazol-2-yl)methyl]-6-propyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(6-chloro-1H-benzimidazol-2-yl)methyl]-6-propyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(6-chloro-1H-benzimidazol-2-yl)methyl]-6-propyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(6-chloro-1H-benzimidazol-2-yl)methyl]-6-propylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(6-chloro-1H-benzimidazol-2-yl)methyl]-6-propyl-thieno[2,3-d]pyrimidin-4-one Formula: C17H15ClN4OS MolecularWeight: 358.8452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(S1)N=CN(C2=O)CC3=NC4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CCCC1=CC2=C(S1)N=CN(C2=O)CC3=NC4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C17H15ClN4OS/c1-2-3-11-7-12-16(24-11)19-9-22(17(12)23)8-15-20-13-5-4-10(18)6-14(13)21-15/h4-7,9H,2-3,8H2,1H3,(H,20,21)