[6-butan-2-yl-9-(phenylmethyl)purin-2-yl]-(3-nitrophenyl)methanol

Systemtic Name: [6-butan-2-yl-9-(phenylmethyl)purin-2-yl]-(3-nitrophenyl)methanol Openeye Name: (9-benzyl-6-sec-butyl-purin-2-yl)-(3-nitrophenyl)methanol CAS Name: [6-butan-2-yl-9-(phenylmethyl)-2-purinyl]-(3-nitrophenyl)methanol IUPAC Name: (9-benzyl-6-butan-2-ylpurin-2-yl)-(3-nitrophenyl)methanol Traditional Name: (9-benzyl-6-sec-butyl-purin-2-yl)-(3-nitrophenyl)methanol Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C2C(=NC(=N1)C(C3=CC(=CC=C3)[N+](=O)[O-])O)N(C=N2)CC4=CC=CC=C4

Isomeric SMILES

CCC(C)C1=C2C(=NC(=N1)C(C3=CC(=CC=C3)[N+](=O)[O-])O)N(C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O3/c1-3-15(2)19-20-23(27(14-24-20)13-16-8-5-4-6-9-16)26-22(25-19)21(29)17-10-7-11-18(12-17)28(30)31/h4-12,14-15,21,29H,3,13H2,1-2H3