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

Systemtic Name: 3-methyl-1-[[6-[(3-nitrophenyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol Openeye Name: 1-[[9-isopropyl-6-(3-nitroanilino)purin-2-yl]amino]-3-methyl-butan-1-ol CAS Name: 3-methyl-1-[[6-(3-nitroanilino)-9-propan-2-yl-2-purinyl]amino]-1-butanol IUPAC Name: 3-methyl-1-[[6-(3-nitroanilino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol Traditional Name: 1-[[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)CC(NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)[N+](=O)[O-])N=CN2C(C)C)O

Isomeric SMILES

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

InChI

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