3-methyl-8-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-1-(5-oxidanylhexyl)-7H-purine-2,6-dione

Systemtic Name: 3-methyl-8-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-3-methyl-8-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-7H-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3-methyl-8-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-7H-purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-3-methyl-8-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-7H-purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-3-methyl-8-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-7H-purine-2,6-quinone Formula: C19H26N8O5 MolecularWeight: 446.46034

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCCNC3=NC=C(C=C3)[N+](=O)[O-])N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCCNC3=NC=C(C=C3)[N+](=O)[O-])N(C1=O)C)O

InChI

InChI=1S/C19H26N8O5/c1-12(28)5-3-4-10-26-17(29)15-16(25(2)19(26)30)24-18(23-15)21-9-8-20-14-7-6-13(11-22-14)27(31)32/h6-7,11-12,28H,3-5,8-10H2,1-2H3,(H,20,22)(H2,21,23,24)