1,3-bis(cyclohexylmethyl)-8-nitro-7H-purine-2,6-dione

Systemtic Name: 1,3-bis(cyclohexylmethyl)-8-nitro-7H-purine-2,6-dione Openeye Name: 1,3-bis(cyclohexylmethyl)-8-nitro-7H-purine-2,6-dione CAS Name: 1,3-bis(cyclohexylmethyl)-8-nitro-7H-purine-2,6-dione IUPAC Name: 1,3-bis(cyclohexylmethyl)-8-nitro-7H-purine-2,6-dione Traditional Name: 1,3-bis(cyclohexylmethyl)-8-nitro-7H-purine-2,6-quinone Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=C(C(=O)N(C2=O)CC4CCCCC4)NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CN2C3=C(C(=O)N(C2=O)CC4CCCCC4)NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O4/c25-17-15-16(21-18(20-15)24(27)28)22(11-13-7-3-1-4-8-13)19(26)23(17)12-14-9-5-2-6-10-14/h13-14H,1-12H2,(H,20,21)