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

Systemtic Name: 5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-6-(4-phenylpiperazin-1-yl)carbonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-methyl-3-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-methyl-3-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-6-[oxo-(4-phenyl-1-piperazinyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(2-methylpiperidino)ethyl]-5-methyl-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1CCCCN1C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H31N5O3S/c1-18-8-6-7-11-31(18)21(32)16-30-17-27-24-22(25(30)33)19(2)23(35-24)26(34)29-14-12-28(13-15-29)20-9-4-3-5-10-20/h3-5,9-10,17-18H,6-8,11-16H2,1-2H3