5-[6-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]ethylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: 5-[6-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]ethylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[6-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]ethylamino]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-[6-[2-[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]ethylamino]-9-purinyl]-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-[6-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]ethylamino]purin-9-yl]-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[6-[2-[1-(2,5-dimethylbenzyl)indol-3-yl]ethylamino]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C29H31N7O4 MolecularWeight: 541.60094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)CCNC4=NC=NC5=C4N=CN5C6C(C(C(O6)C(=O)N)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)CCNC4=NC=NC5=C4N=CN5C6C(C(C(O6)C(=O)N)O)O

InChI

InChI=1S/C29H31N7O4/c1-16-7-8-17(2)19(11-16)13-35-12-18(20-5-3-4-6-21(20)35)9-10-31-27-22-28(33-14-32-27)36(15-34-22)29-24(38)23(37)25(40-29)26(30)39/h3-8,11-12,14-15,23-25,29,37-38H,9-10,13H2,1-2H3,(H2,30,39)(H,31,32,33)