3-methyl-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]isoquinoline

Systemtic Name: 3-methyl-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]isoquinoline Openeye Name: 3-methyl-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]isoquinoline CAS Name: 3-methyl-5-[[(2R)-1-(7H-purin-6-yl)-2-pyrrolidinyl]methoxy]isoquinoline IUPAC Name: 3-methyl-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]isoquinoline Traditional Name: 3-methyl-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]isoquinoline Formula: C20H20N6O MolecularWeight: 360.4124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)OCC3CCCN3C4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)OC[C@H]3CCCN3C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C20H20N6O/c1-13-8-16-14(9-21-13)4-2-6-17(16)27-10-15-5-3-7-26(15)20-18-19(23-11-22-18)24-12-25-20/h2,4,6,8-9,11-12,15H,3,5,7,10H2,1H3,(H,22,23,24,25)/t15-/m1/s1