1,3-dicyclohexyl-7-methyl-8-nitro-purine-2,6-dione

Systemtic Name: 1,3-dicyclohexyl-7-methyl-8-nitro-purine-2,6-dione Openeye Name: 1,3-dicyclohexyl-7-methyl-8-nitro-purine-2,6-dione CAS Name: 1,3-dicyclohexyl-7-methyl-8-nitropurine-2,6-dione IUPAC Name: 1,3-dicyclohexyl-7-methyl-8-nitropurine-2,6-dione Traditional Name: 1,3-dicyclohexyl-7-methyl-8-nitro-xanthine Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C3CCCCC3)C4CCCCC4

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C18H25N5O4/c1-20-14-15(19-17(20)23(26)27)21(12-8-4-2-5-9-12)18(25)22(16(14)24)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3