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

Systemtic Name: 1,3-bis(cyclopropylmethyl)-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-1,3-bis(cyclopropylmethyl)purine-2,6-dione CAS Name: 1,3-bis(cyclopropylmethyl)-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 1,3-bis(cyclopropylmethyl)-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-1,3-bis(cyclopropylmethyl)xanthine Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2CC3CC3)CC4CC4

Isomeric SMILES

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2CC3CC3)CC4CC4

InChI

InChI=1S/C16H20N4O3/c1-10(21)6-18-9-17-14-13(18)15(22)20(8-12-4-5-12)16(23)19(14)7-11-2-3-11/h9,11-12H,2-8H2,1H3