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

Systemtic Name: (2S)-3-methyl-2-[[6-[(3-nitrophenyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: (2S)-2-[[9-isopropyl-6-(3-nitroanilino)purin-2-yl]amino]-3-methyl-butan-1-ol CAS Name: (2S)-3-methyl-2-[[6-(3-nitroanilino)-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: (2S)-3-methyl-2-[[6-(3-nitroanilino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: (2S)-2-[[9-isopropyl-6-(3-nitroanilino)purin-2-yl]amino]-3-methyl-butan-1-ol Formula: C19H25N7O3 MolecularWeight: 399.4469

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)[N+](=O)[O-])N=CN2C(C)C

Isomeric SMILES

CC(C)[C@@H](CO)NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)[N+](=O)[O-])N=CN2C(C)C

InChI

InChI=1S/C19H25N7O3/c1-11(2)15(9-27)22-19-23-17(16-18(24-19)25(10-20-16)12(3)4)21-13-6-5-7-14(8-13)26(28)29/h5-8,10-12,15,27H,9H2,1-4H3,(H2,21,22,23,24)/t15-/m1/s1