6-[4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-7H-purine

Systemtic Name: 6-[4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-7H-purine Openeye Name: 6-[4-[1-[(4-methoxyphenyl)methyl]-4-piperidyl]-1,4-diazepan-1-yl]-7H-purine CAS Name: 6-[4-[1-[(4-methoxyphenyl)methyl]-4-piperidinyl]-1,4-diazepan-1-yl]-7H-purine IUPAC Name: 6-[4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-7H-purine Traditional Name: 6-[4-(1-p-anisyl-4-piperidyl)-1,4-diazepan-1-yl]-7H-purine Formula: C23H31N7O MolecularWeight: 421.53854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCC(CC2)N3CCCN(CC3)C4=NC=NC5=C4NC=N5

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCC(CC2)N3CCCN(CC3)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C23H31N7O/c1-31-20-5-3-18(4-6-20)15-28-11-7-19(8-12-28)29-9-2-10-30(14-13-29)23-21-22(25-16-24-21)26-17-27-23/h3-6,16-17,19H,2,7-15H2,1H3,(H,24,25,26,27)