3-[3-[4,6-bis(oxidanylidene)-1,5-dihydropteridin-7-yl]indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-[4,6-bis(oxidanylidene)-1,5-dihydropteridin-7-yl]indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(4,6-dioxo-1,5-dihydropteridin-7-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(4,6-dioxo-1,5-dihydropteridin-7-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(4,6-dioxo-1,5-dihydropteridin-7-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(4,6-diketo-1,5-dihydropteridin-7-yl)indol-1-yl]propylammonium acetate Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=C(C(=O)N=CN4)NC3=O

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=C(C(=O)N=CN4)NC3=O

InChI

InChI=1S/C17H16N6O2.C2H4O2/c18-6-3-7-23-8-11(10-4-1-2-5-12(10)23)13-17(25)22-14-15(21-13)19-9-20-16(14)24;1-2(3)4/h1-2,4-5,8-9H,3,6-7,18H2,(H,22,25)(H,19,20,21,24);1H3,(H,3,4)