8-[2,3-bis(oxidanyl)propylamino]-1,3-dimethyl-7-phenethyl-4,5-dihydropurine-2,6-dione

Systemtic Name: 8-[2,3-bis(oxidanyl)propylamino]-1,3-dimethyl-7-phenethyl-4,5-dihydropurine-2,6-dione Openeye Name: 8-(2,3-dihydroxypropylamino)-1,3-dimethyl-7-phenethyl-4,5-dihydropurine-2,6-dione CAS Name: 8-(2,3-dihydroxypropylamino)-1,3-dimethyl-7-phenethyl-4,5-dihydropurine-2,6-dione IUPAC Name: 8-(2,3-dihydroxypropylamino)-1,3-dimethyl-7-phenethyl-4,5-dihydropurine-2,6-dione Traditional Name: 8-(glycerylamino)-1,3-dimethyl-7-phenethyl-4,5-dihydropurine-2,6-quinone Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)NCC(CO)O)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)NCC(CO)O)CCC3=CC=CC=C3

InChI

InChI=1S/C18H25N5O4/c1-21-15-14(16(26)22(2)18(21)27)23(9-8-12-6-4-3-5-7-12)17(20-15)19-10-13(25)11-24/h3-7,13-15,24-25H,8-11H2,1-2H3,(H,19,20)