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

Systemtic Name: 3-(2-ethoxyethyl)-5-methyl-6-[4-(phenylmethyl)piperazin-1-yl]carbonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-(4-benzylpiperazine-1-carbonyl)-3-(2-ethoxyethyl)-5-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-ethoxyethyl)-5-methyl-6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-(4-benzylpiperazine-1-carbonyl)-3-(2-ethoxyethyl)-5-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 6-(4-benzylpiperazine-1-carbonyl)-3-(2-ethoxyethyl)-5-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H28N4O3S/c1-3-30-14-13-27-16-24-21-19(22(27)28)17(2)20(31-21)23(29)26-11-9-25(10-12-26)15-18-7-5-4-6-8-18/h4-8,16H,3,9-15H2,1-2H3