(2S)-2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]-3-methyl-butan-1-ol

Systemtic Name: (2S)-2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]-3-methyl-butan-1-ol Openeye Name: (2S)-2-[[9-isopropyl-6-[(4-methoxyphenyl)methylamino]purin-2-yl]amino]-3-methyl-butan-1-ol CAS Name: (2S)-2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-2-purinyl]amino]-3-methyl-1-butanol IUPAC Name: (2S)-2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol Traditional Name: (2S)-2-[[9-isopropyl-6-(p-anisylamino)purin-2-yl]amino]-3-methyl-butan-1-ol Formula: C21H30N6O2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](CO)NC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)OC)N=CN2C(C)C

InChI

InChI=1S/C21H30N6O2/c1-13(2)17(11-28)24-21-25-19(18-20(26-21)27(12-23-18)14(3)4)22-10-15-6-8-16(29-5)9-7-15/h6-9,12-14,17,28H,10-11H2,1-5H3,(H2,22,24,25,26)/t17-/m1/s1