methyl 4-[6-cyano-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]benzoate

Systemtic Name: methyl 4-[6-cyano-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]benzoate Openeye Name: methyl 4-[6-cyano-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]benzoate CAS Name: 4-[6-cyano-5-methyl-4-(4-methyl-1-piperazinyl)-2-thieno[2,3-d]pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-cyano-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]benzoate Traditional Name: 4-[6-cyano-5-methyl-4-(4-methylpiperazino)thieno[2,3-d]pyrimidin-2-yl]benzoic acid methyl ester Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-13-16(12-22)29-20-17(13)19(26-10-8-25(2)9-11-26)23-18(24-20)14-4-6-15(7-5-14)21(27)28-3/h4-7H,8-11H2,1-3H3