2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

Systemtic Name: 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: 2-[[9-isopropyl-6-[(4-methoxyphenyl)methylamino]purin-2-yl]amino]butan-1-ol CAS Name: 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: 2-[[9-isopropyl-6-(p-anisylamino)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=C(C=C3)OC)N=CN2C(C)C

Isomeric SMILES

CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)OC)N=CN2C(C)C

InChI

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