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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-methyl-5-piperidin-1-ylsulfonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-6-methyl-5-(1-piperidylsulfonyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-6-methyl-5-(1-piperidinylsulfonyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-6-methyl-5-piperidinosulfonyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H28N4O4S2 MolecularWeight: 452.59072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCCCCC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCCCCC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H28N4O4S2/c1-15-18(30(27,28)24-11-7-4-8-12-24)17-19(29-15)21-14-23(20(17)26)13-16(25)22-9-5-2-3-6-10-22/h14H,2-13H2,1H3