2-[8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid

Systemtic Name: 2-[8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid Openeye Name: 2-[8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2,6-dioxo-purin-7-yl]acetic acid CAS Name: 2-[8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2,6-dioxo-7-purinyl]acetic acid IUPAC Name: 2-[8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-2,6-dioxopurin-7-yl]acetic acid Traditional Name: 2-[8-(3,4-dihydro-1H-isoquinolin-2-yl)-2,6-diketo-3-methyl-purin-7-yl]acetic acid Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC4=CC=CC=C4C3)CC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC4=CC=CC=C4C3)CC(=O)O

InChI

InChI=1S/C17H17N5O4/c1-20-14-13(15(25)19-17(20)26)22(9-12(23)24)16(18-14)21-7-6-10-4-2-3-5-11(10)8-21/h2-5H,6-9H2,1H3,(H,23,24)(H,19,25,26)