ethyl 2,6-dimethyl-4-[4-(phenylmethyl)piperazin-1-yl]furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2,6-dimethyl-4-[4-(phenylmethyl)piperazin-1-yl]furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-2,6-dimethyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 2,6-dimethyl-4-[4-(phenylmethyl)-1-piperazinyl]-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-(4-benzylpiperazino)-2,6-dimethyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N3CCN(CC3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N3CCN(CC3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C22H26N4O3/c1-4-28-22(27)18-15(2)29-21-19(18)20(23-16(3)24-21)26-12-10-25(11-13-26)14-17-8-6-5-7-9-17/h5-9H,4,10-14H2,1-3H3