tert-butyl N-[9-(4-aminophenyl)-3,6-dihydropurin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Systemtic Name: tert-butyl N-[9-(4-aminophenyl)-3,6-dihydropurin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate Openeye Name: tert-butyl N-[9-(4-aminophenyl)-3,6-dihydropurin-6-yl]-N-tert-butoxycarbonyl-carbamate CAS Name: N-[9-(4-aminophenyl)-3,6-dihydropurin-6-yl]-N-[(2-methylpropan-2-yl)oxy-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[9-(4-aminophenyl)-3,6-dihydropurin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate Traditional Name: N-[9-(4-aminophenyl)-3,6-dihydropurin-6-yl]-N-tert-butoxycarbonyl-carbamic acid tert-butyl ester Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1C2=C(NC=N1)N(C=N2)C3=CC=C(C=C3)N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C1C2=C(NC=N1)N(C=N2)C3=CC=C(C=C3)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N6O4/c1-20(2,3)30-18(28)27(19(29)31-21(4,5)6)17-15-16(23-11-24-17)26(12-25-15)14-9-7-13(22)8-10-14/h7-12,17H,22H2,1-6H3,(H,23,24)