8-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C21H25FN4O2 MolecularWeight: 384.447203

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(C3CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(C3CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H25FN4O2/c1-3-11-25-19-17(20(27)26(12-4-2)21(25)28)23-18(24-19)16(13-5-6-13)14-7-9-15(22)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,23,24)