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3,7-bis(2-methylpropyl)-1-[(4-nitrophenyl)methyl]purine-2,6-dione

3,7-bis(2-methylpropyl)-1-[(4-nitrophenyl)methyl]purine-2,6-dione

Systemtic Name:3,7-bis(2-methylpropyl)-1-[(4-nitrophenyl)methyl]purine-2,6-dione
Openeye Name:3,7-diisobutyl-1-[(4-nitrophenyl)methyl]purine-2,6-dione
CAS Name:3,7-bis(2-methylpropyl)-1-[(4-nitrophenyl)methyl]purine-2,6-dione
IUPAC Name:3,7-bis(2-methylpropyl)-1-[(4-nitrophenyl)methyl]purine-2,6-dione
Traditional Name:3,7-diisobutyl-1-(4-nitrobenzyl)xanthine
Formula: C20H25N5O4
MolecularWeight: 399.4436
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=CC=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=CC=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C20H25N5O4/c1-13(2)9-22-12-21-18-17(22)19(26)24(20(27)23(18)10-14(3)4)11-15-5-7-16(8-6-15)25(28)29/h5-8,12-14H,9-11H2,1-4H3


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