3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c1-15-18(16-9-5-4-6-10-16)19-20(27-15)22-14-24(21(19)26)13-17(25)23-11-7-2-3-8-12-23/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3