3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azocan-1-yl)-2-oxo-ethyl]-5-(5-methyl-2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azocanyl)-2-oxoethyl]-5-(5-methyl-2-thiophenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azocan-1-yl)-2-oxoethyl]-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azocan-1-yl)-2-keto-ethyl]-5-(5-methyl-2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCCCCCC4

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)N4CCCCCCC4

InChI

InChI=1S/C20H23N3O2S2/c1-14-7-8-16(27-14)15-12-26-19-18(15)20(25)23(13-21-19)11-17(24)22-9-5-3-2-4-6-10-22/h7-8,12-13H,2-6,9-11H2,1H3