2-azanyl-3-[3-[2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[3-(2,6-dioxo-3,7-dihydropurin-8-yl)indol-3-yl]propanoic acid CAS Name: 2-amino-3-[3-(2,6-dioxo-3,7-dihydropurin-8-yl)-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[3-(2,6-dioxo-3,7-dihydropurin-8-yl)indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[3-(2,6-diketo-3,7-dihydropurin-8-yl)indol-3-yl]propionic acid Formula: C16H14N6O4 MolecularWeight: 354.32016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C=N2)(CC(C(=O)O)N)C3=NC4=C(N3)C(=O)NC(=O)N4

Isomeric SMILES

C1=CC=C2C(=C1)C(C=N2)(CC(C(=O)O)N)C3=NC4=C(N3)C(=O)NC(=O)N4

InChI

InChI=1S/C16H14N6O4/c17-8(13(24)25)5-16(6-18-9-4-2-1-3-7(9)16)14-19-10-11(20-14)21-15(26)22-12(10)23/h1-4,6,8H,5,17H2,(H,24,25)(H3,19,20,21,22,23,26)