ethyl 2,5-dimethyl-4-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-[4-(1-naphthoyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C26H26N4O3S/c1-4-33-26(32)22-16(2)21-23(27-17(3)28-24(21)34-22)29-12-14-30(15-13-29)25(31)20-11-7-9-18-8-5-6-10-19(18)20/h5-11H,4,12-15H2,1-3H3