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

Systemtic Name: 2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetic acid CAS Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetic acid Traditional Name: 2-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]acetic acid Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC(=O)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC(=O)O

InChI

InChI=1S/C16H20N6O4/c1-3-5-21-14-12(15(25)22(6-4-2)16(21)26)18-13(19-14)10-7-17-20(8-10)9-11(23)24/h7-8H,3-6,9H2,1-2H3,(H,18,19)(H,23,24)