3-[3-(6-oxidanylidene-5H-pteridin-7-yl)indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-(6-oxidanylidene-5H-pteridin-7-yl)indol-1-yl]propylazanium ethanoate Openeye Name: 3-[3-(6-oxo-5H-pteridin-7-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(6-oxo-5H-pteridin-7-yl)-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(6-oxo-5H-pteridin-7-yl)indol-1-yl]propylazanium acetate Traditional Name: 3-[3-(6-keto-5H-pteridin-7-yl)indol-1-yl]propylammonium acetate Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=NC=NC=C4NC3=O

Isomeric SMILES

CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2CCC[NH3+])C3=NC4=NC=NC=C4NC3=O

InChI

InChI=1S/C17H16N6O.C2H4O2/c18-6-3-7-23-9-12(11-4-1-2-5-14(11)23)15-17(24)21-13-8-19-10-20-16(13)22-15;1-2(3)4/h1-2,4-5,8-10H,3,6-7,18H2,(H,21,24);1H3,(H,3,4)