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

Systemtic Name: 2-[4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]pyrazol-1-yl]propanoic acid Openeye Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]propanoic acid CAS Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-pyrazolyl]propanoic acid IUPAC Name: 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]propanoic acid Traditional Name: 2-[4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)pyrazol-1-yl]propionic acid Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O4/c1-4-6-21-14-12(15(24)22(7-5-2)17(21)27)19-13(20-14)11-8-18-23(9-11)10(3)16(25)26/h8-10H,4-7H2,1-3H3,(H,19,20)(H,25,26)