ethyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O3/c1-4-28-21(27)17-14(3)29-20-18(17)19(23-12-24-20)26-9-7-25(8-10-26)16-11-15(22)6-5-13(16)2/h5-6,11-12H,4,7-10H2,1-3H3