3-methyl-1,7-bis(6-oxidanylideneheptyl)purine-2,6-dione

Systemtic Name: 3-methyl-1,7-bis(6-oxidanylideneheptyl)purine-2,6-dione Openeye Name: 3-methyl-1,7-bis(6-oxoheptyl)purine-2,6-dione CAS Name: 3-methyl-1,7-bis(6-oxoheptyl)purine-2,6-dione IUPAC Name: 3-methyl-1,7-bis(6-oxoheptyl)purine-2,6-dione Traditional Name: 1,7-bis(6-ketoheptyl)-3-methyl-xanthine Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCC(=O)C

Isomeric SMILES

CC(=O)CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCC(=O)C

InChI

InChI=1S/C20H30N4O4/c1-15(25)10-6-4-8-12-23-14-21-18-17(23)19(27)24(20(28)22(18)3)13-9-5-7-11-16(2)26/h14H,4-13H2,1-3H3