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

Systemtic Name: 2-[[8-methyl-6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: 2-[[6-(benzylamino)-9-isopropyl-8-methyl-purin-2-yl]amino]butan-1-ol CAS Name: 2-[[8-methyl-6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: 2-[[6-(benzylamino)-8-methyl-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: 2-[[6-(benzylamino)-9-isopropyl-8-methyl-purin-2-yl]amino]butan-1-ol Formula: C20H28N6O MolecularWeight: 368.47592

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O/c1-5-16(12-27)23-20-24-18(21-11-15-9-7-6-8-10-15)17-19(25-20)26(13(2)3)14(4)22-17/h6-10,13,16,27H,5,11-12H2,1-4H3,(H2,21,23,24,25)