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

Systemtic Name: tert-butyl 4-(2-azanyl-8-ethoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-amino-8-ethoxy-benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-(2-amino-8-ethoxy-4-benzofuro[3,2-d]pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-amino-8-ethoxy-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2-amino-8-ethoxy-benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC3=C2N=C(N=C3N4CCN(CC4)C(=O)OC(C)(C)C)N

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC3=C2N=C(N=C3N4CCN(CC4)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C21H27N5O4/c1-5-28-13-6-7-15-14(12-13)16-17(29-15)18(24-19(22)23-16)25-8-10-26(11-9-25)20(27)30-21(2,3)4/h6-7,12H,5,8-11H2,1-4H3,(H2,22,23,24)