ethyl 1-butyl-2-methyl-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]indole-3-carboxylate

Systemtic Name: ethyl 1-butyl-2-methyl-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]indole-3-carboxylate Openeye Name: ethyl 1-butyl-2-methyl-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]indole-3-carboxylate CAS Name: 1-butyl-2-methyl-5-[[(2R)-1-(7H-purin-6-yl)-2-pyrrolidinyl]methoxy]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-2-methyl-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]indole-3-carboxylate Traditional Name: 1-butyl-2-methyl-5-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]indole-3-carboxylic acid ethyl ester Formula: C26H32N6O3 MolecularWeight: 476.57068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2)OCC3CCCN3C4=NC=NC5=C4NC=N5)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2)OC[C@H]3CCCN3C4=NC=NC5=C4NC=N5)C(=O)OCC)C

InChI

InChI=1S/C26H32N6O3/c1-4-6-11-31-17(3)22(26(33)34-5-2)20-13-19(9-10-21(20)31)35-14-18-8-7-12-32(18)25-23-24(28-15-27-23)29-16-30-25/h9-10,13,15-16,18H,4-8,11-12,14H2,1-3H3,(H,27,28,29,30)/t18-/m1/s1