methyl 2-[5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]ethanoate Openeye Name: methyl 2-[5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]acetate CAS Name: 2-[5,6-dimethyl-4-(4-phenyl-1-piperazinyl)-2-thieno[2,3-d]pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[5,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]acetate Traditional Name: 2-[5,6-dimethyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidin-2-yl]acetic acid methyl ester Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)CC(=O)OC)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=C4)CC(=O)OC)C

InChI

InChI=1S/C21H24N4O2S/c1-14-15(2)28-21-19(14)20(22-17(23-21)13-18(26)27-3)25-11-9-24(10-12-25)16-7-5-4-6-8-16/h4-8H,9-13H2,1-3H3