1-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1-(2-furylmethyl)-3-(4-isopropylphenyl)purine-2,6-dione CAS Name: 1-(2-furanylmethyl)-3-(4-propan-2-ylphenyl)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1-(furan-2-ylmethyl)-3-(4-propan-2-ylphenyl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1-(2-furfuryl)-3-p-cumenyl-xanthine Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=CO4)N(C=N3)CC=C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=CO4)N(C=N3)CC=C

InChI

InChI=1S/C22H22N4O3/c1-4-11-24-14-23-20-19(24)21(27)25(13-18-6-5-12-29-18)22(28)26(20)17-9-7-16(8-10-17)15(2)3/h4-10,12,14-15H,1,11,13H2,2-3H3