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

Systemtic Name: tert-butyl 4-(2-azanyl-8-chloranyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-amino-8-chloro-benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-(2-amino-8-chloro-4-benzofuro[3,2-d]pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-amino-8-chloro-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2-amino-8-chloro-benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H22ClN5O3 MolecularWeight: 403.86268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC3=C2OC4=C3C=C(C=C4)Cl)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC3=C2OC4=C3C=C(C=C4)Cl)N

InChI

InChI=1S/C19H22ClN5O3/c1-19(2,3)28-18(26)25-8-6-24(7-9-25)16-15-14(22-17(21)23-16)12-10-11(20)4-5-13(12)27-15/h4-5,10H,6-9H2,1-3H3,(H2,21,22,23)