tert-butyl 4-(2-azanyl-8-chloranyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-2-ethyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-azanyl-8-chloranyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-2-ethyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-amino-8-chloro-benzofuro[3,2-d]pyrimidin-4-yl)-2-ethyl-piperazine-1-carboxylate CAS Name: 4-(2-amino-8-chloro-4-benzofuro[3,2-d]pyrimidinyl)-2-ethyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-amino-8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)-2-ethylpiperazine-1-carboxylate Traditional Name: 4-(2-amino-8-chloro-benzofuro[3,2-d]pyrimidin-4-yl)-2-ethyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26ClN5O3 MolecularWeight: 431.91584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C(=O)OC(C)(C)C)C2=NC(=NC3=C2OC4=C3C=C(C=C4)Cl)N

Isomeric SMILES

CCC1CN(CCN1C(=O)OC(C)(C)C)C2=NC(=NC3=C2OC4=C3C=C(C=C4)Cl)N

InChI

InChI=1S/C21H26ClN5O3/c1-5-13-11-26(8-9-27(13)20(28)30-21(2,3)4)18-17-16(24-19(23)25-18)14-10-12(22)6-7-15(14)29-17/h6-7,10,13H,5,8-9,11H2,1-4H3,(H2,23,24,25)