3-phenyl-1-(phenylmethyl)-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-phenyl-1-(phenylmethyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1-benzyl-3-phenyl-purine-2,6-dione CAS Name: 3-phenyl-1-(phenylmethyl)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1-benzyl-3-phenyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1-benzyl-3-phenyl-xanthine Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C=CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2/c1-2-13-23-15-22-19-18(23)20(26)24(14-16-9-5-3-6-10-16)21(27)25(19)17-11-7-4-8-12-17/h2-12,15H,1,13-14H2