3-methyl-8-phenyl-1,7-bis(prop-2-enyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-phenyl-1,7-bis(prop-2-enyl)purine-2,6-dione Openeye Name: 1,7-diallyl-3-methyl-8-phenyl-purine-2,6-dione CAS Name: 3-methyl-8-phenyl-1,7-bis(prop-2-enyl)purine-2,6-dione IUPAC Name: 3-methyl-8-phenyl-1,7-bis(prop-2-enyl)purine-2,6-dione Traditional Name: 1,7-diallyl-3-methyl-8-phenyl-xanthine Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)C3=CC=CC=C3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C18H18N4O2/c1-4-11-21-14-16(19-15(21)13-9-7-6-8-10-13)20(3)18(24)22(12-5-2)17(14)23/h4-10H,1-2,11-12H2,3H3