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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-6-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-6-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-6-methyl-5-(4-methylpiperidino)sulfonyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H30N4O4S2 MolecularWeight: 466.6173

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)N4CCCCCC4)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)N4CCCCCC4)C

InChI

InChI=1S/C21H30N4O4S2/c1-15-7-11-25(12-8-15)31(28,29)19-16(2)30-20-18(19)21(27)24(14-22-20)13-17(26)23-9-5-3-4-6-10-23/h14-15H,3-13H2,1-2H3