ethyl 5-azanyl-1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[5-(4-chlorophenyl)-4-thieno[2,3-d]pyrimidinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C18H14ClN5O2S MolecularWeight: 399.85406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Cl)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C18H14ClN5O2S/c1-2-26-18(25)12-7-23-24(15(12)20)16-14-13(8-27-17(14)22-9-21-16)10-3-5-11(19)6-4-10/h3-9H,2,20H2,1H3