ethyl 4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)C

InChI

InChI=1S/C20H22N4O2S/c1-3-26-20(25)24-10-8-23(9-11-24)18-17-16(12-27-19(17)22-13-21-18)15-6-4-14(2)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3