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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-naphthalen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-(2-naphthyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-(2-naphthalenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-(2-naphthyl)thieno[2,3-d]pyrimidin-4-one Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H23N3O2S/c28-21(26-11-5-1-2-6-12-26)14-27-16-25-23-22(24(27)29)20(15-30-23)19-10-9-17-7-3-4-8-18(17)13-19/h3-4,7-10,13,15-16H,1-2,5-6,11-12,14H2