2-[[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[2-(2-thienyl)ethyl-(2-thienylmethyl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[2-thenyl-[2-(2-thienyl)ethyl]amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C18H17N3OS3 MolecularWeight: 387.54208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCN(CC2=CC=CS2)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1=CSC(=C1)CCN(CC2=CC=CS2)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C18H17N3OS3/c22-18-17-15(6-10-25-17)19-16(20-18)12-21(11-14-4-2-9-24-14)7-5-13-3-1-8-23-13/h1-4,6,8-10H,5,7,11-12H2,(H,19,20,22)