3,7-dimethyl-1-[3-[methyl-[(2-nitrophenyl)methyl]amino]propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-[methyl-[(2-nitrophenyl)methyl]amino]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[methyl-[(2-nitrophenyl)methyl]amino]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[methyl-[(2-nitrophenyl)methyl]amino]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[methyl-[(2-nitrophenyl)methyl]amino]propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[methyl-(2-nitrobenzyl)amino]propyl]xanthine Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN(C)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN(C)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O4/c1-20(11-13-7-4-5-8-14(13)24(27)28)9-6-10-23-17(25)15-16(19-12-21(15)2)22(3)18(23)26/h4-5,7-8,12H,6,9-11H2,1-3H3