3,7-dimethyl-1-(16-oxidanylideneheptadecyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(16-oxidanylideneheptadecyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(16-oxoheptadecyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(16-oxoheptadecyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(16-oxoheptadecyl)purine-2,6-dione Traditional Name: 1-(16-ketoheptadecyl)-3,7-dimethyl-xanthine Formula: C24H40N4O3 MolecularWeight: 432.5994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(=O)CCCCCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C24H40N4O3/c1-20(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-28-23(30)21-22(25-19-26(21)2)27(3)24(28)31/h19H,4-18H2,1-3H3