3-methyl-1-(3-methyl-7-phenyl-hept-4-ynyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-1-(3-methyl-7-phenyl-hept-4-ynyl)-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-1-(3-methyl-7-phenyl-hept-4-ynyl)-7-propyl-purine-2,6-dione CAS Name: 3-methyl-1-(3-methyl-7-phenylhept-4-ynyl)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-1-(3-methyl-7-phenylhept-4-ynyl)-7-propylpurine-2,6-dione Traditional Name: 3-methyl-1-(3-methyl-7-phenyl-hept-4-ynyl)-7-propyl-xanthine Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCC(C)C#CCCC3=CC=CC=C3

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCC(C)C#CCCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2/c1-4-15-26-17-24-21-20(26)22(28)27(23(29)25(21)3)16-14-18(2)10-8-9-13-19-11-6-5-7-12-19/h5-7,11-12,17-18H,4,9,13-16H2,1-3H3