1,3-dicyclohexyl-7-(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 1,3-dicyclohexyl-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-1,3-dicyclohexyl-purine-2,6-dione CAS Name: 1,3-dicyclohexyl-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 1,3-dicyclohexyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-1,3-dicyclohexyl-xanthine Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3CCCCC3)C4CCCCC4

Isomeric SMILES

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C20H28N4O3/c1-14(25)12-22-13-21-18-17(22)19(26)24(16-10-6-3-7-11-16)20(27)23(18)15-8-4-2-5-9-15/h13,15-16H,2-12H2,1H3