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

Systemtic Name: [2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl] 2-azanyl-3-(3H-indol-3-yl)propanoate Openeye Name: (2,6-dioxo-3,7-dihydropurin-8-yl) 2-amino-3-(3H-indol-3-yl)propanoate CAS Name: 2-amino-3-(3H-indol-3-yl)propanoic acid (2,6-dioxo-3,7-dihydropurin-8-yl) ester IUPAC Name: (2,6-dioxo-3,7-dihydropurin-8-yl) 2-amino-3-(3H-indol-3-yl)propanoate Traditional Name: 2-amino-3-(3H-indol-3-yl)propionic acid (2,6-diketo-3,7-dihydropurin-8-yl) ester 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)OC3=NC4=C(N3)C(=O)NC(=O)N4)N

Isomeric SMILES

C1=CC=C2C(=C1)C(C=N2)CC(C(=O)OC3=NC4=C(N3)C(=O)NC(=O)N4)N

InChI

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