9-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-oxidanyl-7-prop-2-enyl-2H-purino[7,8-a]pyrimidine-4,6-dione

Systemtic Name: 9-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-oxidanyl-7-prop-2-enyl-2H-purino[7,8-a]pyrimidine-4,6-dione Openeye Name: 7-allyl-9-[(4-fluorophenyl)methyl]-8-hydroxy-1,3-dimethyl-2H-purino[7,8-a]pyrimidine-4,6-dione CAS Name: 9-[(4-fluorophenyl)methyl]-8-hydroxy-1,3-dimethyl-7-prop-2-enyl-2H-purino[7,8-a]pyrimidine-4,6-dione IUPAC Name: 9-[(4-fluorophenyl)methyl]-8-hydroxy-1,3-dimethyl-7-prop-2-enyl-2H-purino[7,8-a]pyrimidine-4,6-dione Traditional Name: 7-allyl-9-(4-fluorobenzyl)-8-hydroxy-1,3-dimethyl-2H-purino[7,8-a]pyrimidine-4,6-quinone Formula: C20H20FN5O3 MolecularWeight: 397.402903

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C(=O)C2=C1N=C3N2C(=O)C(=C(N3CC4=CC=C(C=C4)F)O)CC=C)C

Isomeric SMILES

CN1CN(C(=O)C2=C1N=C3N2C(=O)C(=C(N3CC4=CC=C(C=C4)F)O)CC=C)C

InChI

InChI=1S/C20H20FN5O3/c1-4-5-14-17(27)25(10-12-6-8-13(21)9-7-12)20-22-16-15(26(20)18(14)28)19(29)24(3)11-23(16)2/h4,6-9,27H,1,5,10-11H2,2-3H3