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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-6-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-6-methyl-5-[(4-methyl-1-piperazinyl)sulfonyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-5-(4-methylpiperazin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-6-methyl-5-(4-methylpiperazino)sulfonyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H29N5O4S2 MolecularWeight: 467.60536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCCCCC3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCCCCC3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C20H29N5O4S2/c1-15-18(31(28,29)25-11-9-22(2)10-12-25)17-19(30-15)21-14-24(20(17)27)13-16(26)23-7-5-3-4-6-8-23/h14H,3-13H2,1-2H3