methyl 4-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 4-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propylamino]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C23H23N7O2S MolecularWeight: 461.53942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4)C)C(=O)OC

InChI

InChI=1S/C23H23N7O2S/c1-13-18-21(27-14(2)28-22(18)33-19(13)23(31)32-3)26-11-7-10-17-16(12-24)20(25)30(29-17)15-8-5-4-6-9-15/h4-6,8-9H,7,10-11,25H2,1-3H3,(H,26,27,28)