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

Systemtic Name: 5-methyl-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-6-[4-(phenylmethyl)piperazin-1-yl]carbonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-(4-benzylpiperazine-1-carbonyl)-5-methyl-3-[2-oxo-2-(1-piperidyl)ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-[2-oxo-2-(1-piperidinyl)ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-(4-benzylpiperazine-1-carbonyl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-(4-benzylpiperazine-1-carbonyl)-3-(2-keto-2-piperidino-ethyl)-5-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCC3)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H31N5O3S/c1-19-22-24(27-18-31(25(22)33)17-21(32)29-10-6-3-7-11-29)35-23(19)26(34)30-14-12-28(13-15-30)16-20-8-4-2-5-9-20/h2,4-5,8-9,18H,3,6-7,10-17H2,1H3