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

Systemtic Name: 2-[[8-methoxy-6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: 2-[[6-(benzylamino)-9-isopropyl-8-methoxy-purin-2-yl]amino]butan-1-ol CAS Name: 2-[[8-methoxy-6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: 2-[[6-(benzylamino)-8-methoxy-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: 2-[[6-(benzylamino)-9-isopropyl-8-methoxy-purin-2-yl]amino]butan-1-ol Formula: C20H28N6O2 MolecularWeight: 384.47532

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O2/c1-5-15(12-27)22-19-24-17(21-11-14-9-7-6-8-10-14)16-18(25-19)26(13(2)3)20(23-16)28-4/h6-10,13,15,27H,5,11-12H2,1-4H3,(H2,21,22,24,25)