2-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H18ClN3OS2 MolecularWeight: 427.97012

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H18ClN3OS2/c1-2-10-25(12-15-8-9-18(22)27-15)13-19-23-20(26)16-11-17(28-21(16)24-19)14-6-4-3-5-7-14/h2-9,11H,1,10,12-13H2,(H,23,24,26)