8-(cyclopentylamino)-3,7-dimethyl-1-[(4-nitrophenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(cyclopentylamino)-3,7-dimethyl-1-[(4-nitrophenyl)methyl]purine-2,6-dione Openeye Name: 8-(cyclopentylamino)-3,7-dimethyl-1-[(4-nitrophenyl)methyl]purine-2,6-dione CAS Name: 8-(cyclopentylamino)-3,7-dimethyl-1-[(4-nitrophenyl)methyl]purine-2,6-dione IUPAC Name: 8-(cyclopentylamino)-3,7-dimethyl-1-[(4-nitrophenyl)methyl]purine-2,6-dione Traditional Name: 8-(cyclopentylamino)-3,7-dimethyl-1-(4-nitrobenzyl)xanthine Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NC3CCCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CN1C2=C(N=C1NC3CCCC3)N(C(=O)N(C2=O)CC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N6O4/c1-22-15-16(21-18(22)20-13-5-3-4-6-13)23(2)19(27)24(17(15)26)11-12-7-9-14(10-8-12)25(28)29/h7-10,13H,3-6,11H2,1-2H3,(H,20,21)