6-[4-azanyl-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-7,9-dihydropurin-8-one

Systemtic Name: 6-[4-azanyl-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-7,9-dihydropurin-8-one Openeye Name: 6-[4-amino-4-[(4-tert-butylphenyl)methyl]-1-piperidyl]-7,9-dihydropurin-8-one CAS Name: 6-[4-amino-4-[(4-tert-butylphenyl)methyl]-1-piperidinyl]-7,9-dihydropurin-8-one IUPAC Name: 6-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-7,9-dihydropurin-8-one Traditional Name: 6-[4-amino-4-(4-tert-butylbenzyl)piperidino]-7,9-dihydropurin-8-one Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC2(CCN(CC2)C3=NC=NC4=C3NC(=O)N4)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC2(CCN(CC2)C3=NC=NC4=C3NC(=O)N4)N

InChI

InChI=1S/C21H28N6O/c1-20(2,3)15-6-4-14(5-7-15)12-21(22)8-10-27(11-9-21)18-16-17(23-13-24-18)26-19(28)25-16/h4-7,13H,8-12,22H2,1-3H3,(H2,23,24,25,26,28)