3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azocan-1-yl)-2-oxo-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azocanyl)-2-oxoethyl]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azocan-1-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azocan-1-yl)-2-keto-ethyl]-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CCC1)C(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c25-19(23-11-7-2-1-3-8-12-23)14-24-15-22-20-17(21(24)26)13-18(27-20)16-9-5-4-6-10-16/h4-6,9-10,13,15H,1-3,7-8,11-12,14H2