2-(4-nitrophenyl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one

Systemtic Name: 2-(4-nitrophenyl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one Openeye Name: 9-(1-methyl-4-phenyl-butyl)-2-(4-nitrophenyl)-3H-purin-6-one CAS Name: 2-(4-nitrophenyl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one IUPAC Name: 2-(4-nitrophenyl)-9-(5-phenylpentan-2-yl)-3H-purin-6-one Traditional Name: 9-(1-methyl-4-phenyl-butyl)-2-(4-nitrophenyl)-3H-purin-6-one Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3/c1-15(6-5-9-16-7-3-2-4-8-16)26-14-23-19-21(26)24-20(25-22(19)28)17-10-12-18(13-11-17)27(29)30/h2-4,7-8,10-15H,5-6,9H2,1H3,(H,24,25,28)