N6-[3-[5-[2-azanyl-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]phenyl]-7H-purine-2,6-diamine

Systemtic Name: N6-[3-[5-[2-azanyl-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]phenyl]-7H-purine-2,6-diamine Openeye Name: N6-[3-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridyl]phenyl]-7H-purine-2,6-diamine CAS Name: N6-[3-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]phenyl]-7H-purine-2,6-diamine IUPAC Name: 6-N-[3-[5-[2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl]phenyl]-7H-purine-2,6-diamine Traditional Name: [3-[5-[2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridyl]phenyl]-(2-amino-7H-purin-6-yl)amine Formula: C27H25N9O MolecularWeight: 491.5471

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CN=CC(=C3)C4=CC(=CC=C4)NC5=NC(=NC6=C5NC=N6)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CN=CC(=C3)C4=CC(=CC=C4)NC5=NC(=NC6=C5NC=N6)N)N

InChI

InChI=1S/C27H25N9O/c28-19(8-18-12-31-23-7-2-1-6-22(18)23)14-37-21-10-17(11-30-13-21)16-4-3-5-20(9-16)34-26-24-25(33-15-32-24)35-27(29)36-26/h1-7,9-13,15,19,31H,8,14,28H2,(H4,29,32,33,34,35,36)