6-[(2R)-2-[[4-[(4-methylpiperazin-1-yl)methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine

Systemtic Name: 6-[(2R)-2-[[4-[(4-methylpiperazin-1-yl)methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine Openeye Name: 6-[(2R)-2-[[4-[(4-methylpiperazin-1-yl)methyl]-1-naphthyl]oxymethyl]pyrrolidin-1-yl]-7H-purine CAS Name: 6-[(2R)-2-[[4-[(4-methyl-1-piperazinyl)methyl]-1-naphthalenyl]oxymethyl]-1-pyrrolidinyl]-7H-purine IUPAC Name: 6-[(2R)-2-[[4-[(4-methylpiperazin-1-yl)methyl]naphthalen-1-yl]oxymethyl]pyrrolidin-1-yl]-7H-purine Traditional Name: 6-[(2R)-2-[[4-[(4-methylpiperazino)methyl]-1-naphthoxy]methyl]pyrrolidino]-7H-purine Formula: C26H31N7O MolecularWeight: 457.57064

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C3=CC=CC=C23)OCC4CCCN4C5=NC=NC6=C5NC=N6

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C3=CC=CC=C23)OC[C@H]4CCCN4C5=NC=NC6=C5NC=N6

InChI

InChI=1S/C26H31N7O/c1-31-11-13-32(14-12-31)15-19-8-9-23(22-7-3-2-6-21(19)22)34-16-20-5-4-10-33(20)26-24-25(28-17-27-24)29-18-30-26/h2-3,6-9,17-18,20H,4-5,10-16H2,1H3,(H,27,28,29,30)/t20-/m1/s1