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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C18H19N3O2S2 MolecularWeight: 373.49236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

InChI

InChI=1S/C18H19N3O2S2/c22-15(20-7-3-1-2-4-8-20)10-21-12-19-17-16(18(21)23)13(11-25-17)14-6-5-9-24-14/h5-6,9,11-12H,1-4,7-8,10H2