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

Systemtic Name: 1,3-bis(cyclohexylmethyl)-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-1,3-bis(cyclohexylmethyl)purine-2,6-dione CAS Name: 1,3-bis(cyclohexylmethyl)-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 1,3-bis(cyclohexylmethyl)-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-1,3-bis(cyclohexylmethyl)xanthine Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2CC3CCCCC3)CC4CCCCC4

Isomeric SMILES

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2CC3CCCCC3)CC4CCCCC4

InChI

InChI=1S/C22H32N4O3/c1-16(27)12-24-15-23-20-19(24)21(28)26(14-18-10-6-3-7-11-18)22(29)25(20)13-17-8-4-2-5-9-17/h15,17-18H,2-14H2,1H3