3-[[[8-chloranyl-2-(1-oxidanylbutan-2-ylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]phenol

Systemtic Name: 3-[[[8-chloranyl-2-(1-oxidanylbutan-2-ylamino)-9-propan-2-yl-purin-6-yl]amino]methyl]phenol Openeye Name: 3-[[[8-chloro-2-[1-(hydroxymethyl)propylamino]-9-isopropyl-purin-6-yl]amino]methyl]phenol CAS Name: 3-[[[8-chloro-2-(1-hydroxybutan-2-ylamino)-9-propan-2-yl-6-purinyl]amino]methyl]phenol IUPAC Name: 3-[[[8-chloro-2-(1-hydroxybutan-2-ylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]phenol Traditional Name: 3-[[[8-chloro-9-isopropyl-2-(1-methylolpropylamino)purin-6-yl]amino]methyl]phenol Formula: C19H25ClN6O2 MolecularWeight: 404.8938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC(=CC=C3)O)N=C(N2C(C)C)Cl

Isomeric SMILES

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC(=CC=C3)O)N=C(N2C(C)C)Cl

InChI

InChI=1S/C19H25ClN6O2/c1-4-13(10-27)22-19-24-16(21-9-12-6-5-7-14(28)8-12)15-17(25-19)26(11(2)3)18(20)23-15/h5-8,11,13,27-28H,4,9-10H2,1-3H3,(H2,21,22,24,25)