2-[[[2-(1-oxidanylbutan-2-ylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]phenol

Systemtic Name: 2-[[[2-(1-oxidanylbutan-2-ylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]phenol Openeye Name: 2-[[[2-[1-(hydroxymethyl)propylamino]-9-isopropyl-purin-6-yl]amino]methyl]phenol CAS Name: 2-[[[2-(1-hydroxybutan-2-ylamino)-9-propan-2-yl-6-purinyl]amino]methyl]phenol IUPAC Name: 2-[[[2-(1-hydroxybutan-2-ylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]phenol Traditional Name: 2-[[[9-isopropyl-2-(1-methylolpropylamino)purin-6-yl]amino]methyl]phenol Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3O)N=CN2C(C)C

Isomeric SMILES

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3O)N=CN2C(C)C

InChI

InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)