2-[[8-chloranyl-6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

Systemtic Name: 2-[[8-chloranyl-6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: 2-[[6-(benzylamino)-8-chloro-9-isopropyl-purin-2-yl]amino]butan-1-ol CAS Name: 2-[[8-chloro-6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: 2-[[6-(benzylamino)-8-chloro-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: 2-[[6-(benzylamino)-8-chloro-9-isopropyl-purin-2-yl]amino]butan-1-ol Formula: C19H25ClN6O MolecularWeight: 388.8944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN6O/c1-4-14(11-27)22-19-24-16(21-10-13-8-6-5-7-9-13)15-17(25-19)26(12(2)3)18(20)23-15/h5-9,12,14,27H,4,10-11H2,1-3H3,(H2,21,22,24,25)