3-azanylpropane-1,2-diol; 7,8-dimethyl-10-(6-oxidanylhexyl)benzo[g]pteridine-2,4-dione

Systemtic Name: 3-azanylpropane-1,2-diol; 7,8-dimethyl-10-(6-oxidanylhexyl)benzo[g]pteridine-2,4-dione Openeye Name: 3-aminopropane-1,2-diol; 10-(6-hydroxyhexyl)-7,8-dimethyl-benzo[g]pteridine-2,4-dione CAS Name: 3-aminopropane-1,2-diol; 10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione IUPAC Name: 3-aminopropane-1,2-diol; 10-(6-hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione Traditional Name: 3-aminopropane-1,2-diol; 10-(6-hydroxyhexyl)-7,8-dimethyl-benzo[g]pteridine-2,4-quinone Formula: C21H31N5O5 MolecularWeight: 433.50134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCCCO.C(C(CO)O)N

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCCCO.C(C(CO)O)N

InChI

InChI=1S/C18H22N4O3.C3H9NO2/c1-11-9-13-14(10-12(11)2)22(7-5-3-4-6-8-23)16-15(19-13)17(24)21-18(25)20-16;4-1-3(6)2-5/h9-10,23H,3-8H2,1-2H3,(H,21,24,25);3,5-6H,1-2,4H2