4-[2-methyl-8-phenyl-9-[1-(phenylmethyl)pyrrolidin-3-yl]purin-6-yl]morpholine

Systemtic Name: 4-[2-methyl-8-phenyl-9-[1-(phenylmethyl)pyrrolidin-3-yl]purin-6-yl]morpholine Openeye Name: 4-[9-(1-benzylpyrrolidin-3-yl)-2-methyl-8-phenyl-purin-6-yl]morpholine CAS Name: 4-[2-methyl-8-phenyl-9-[1-(phenylmethyl)-3-pyrrolidinyl]-6-purinyl]morpholine IUPAC Name: 4-[9-(1-benzylpyrrolidin-3-yl)-2-methyl-8-phenylpurin-6-yl]morpholine Traditional Name: 4-[9-(1-benzylpyrrolidin-3-yl)-2-methyl-8-phenyl-purin-6-yl]morpholine Formula: C27H30N6O MolecularWeight: 454.5667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCOCC3)N=C(N2C4CCN(C4)CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCOCC3)N=C(N2C4CCN(C4)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H30N6O/c1-20-28-26(32-14-16-34-17-15-32)24-27(29-20)33(25(30-24)22-10-6-3-7-11-22)23-12-13-31(19-23)18-21-8-4-2-5-9-21/h2-11,23H,12-19H2,1H3