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

Systemtic Name: ethyl 4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propylamino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H21N7O2S MolecularWeight: 399.47004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCCCC3=C(C(=NN3)N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCCCC3=C(C(=NN3)N)C#N)C

InChI

InChI=1S/C18H21N7O2S/c1-4-27-18(26)14-9(2)13-16(22-10(3)23-17(13)28-14)21-7-5-6-12-11(8-19)15(20)25-24-12/h4-7H2,1-3H3,(H3,20,24,25)(H,21,22,23)