tert-butyl N-[4-[7-[(4-tert-butylphenyl)methyl]-6-oxidanylidene-3H-purin-2-yl]phenyl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[4-[7-[(4-tert-butylphenyl)methyl]-6-oxidanylidene-3H-purin-2-yl]phenyl]-N-methyl-carbamate Openeye Name: tert-butyl N-[4-[7-[(4-tert-butylphenyl)methyl]-6-oxo-3H-purin-2-yl]phenyl]-N-methyl-carbamate CAS Name: N-[4-[7-[(4-tert-butylphenyl)methyl]-6-oxo-3H-purin-2-yl]phenyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[7-[(4-tert-butylphenyl)methyl]-6-oxo-3H-purin-2-yl]phenyl]-N-methylcarbamate Traditional Name: N-[4-[7-(4-tert-butylbenzyl)-6-keto-3H-purin-2-yl]phenyl]-N-methyl-carbamic acid tert-butyl ester Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CC=C(C=C4)N(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CC=C(C=C4)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H33N5O3/c1-27(2,3)20-12-8-18(9-13-20)16-33-17-29-24-22(33)25(34)31-23(30-24)19-10-14-21(15-11-19)32(7)26(35)36-28(4,5)6/h8-15,17H,16H2,1-7H3,(H,30,31,34)