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

Systemtic Name: 3-cyclopentyl-1-(cyclopropylmethyl)-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-3-cyclopentyl-1-(cyclopropylmethyl)purine-2,6-dione CAS Name: 3-cyclopentyl-1-(cyclopropylmethyl)-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 3-cyclopentyl-1-(cyclopropylmethyl)-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-3-cyclopentyl-1-(cyclopropylmethyl)xanthine Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3CCCC3)CC4CC4

Isomeric SMILES

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C3CCCC3)CC4CC4

InChI

InChI=1S/C17H22N4O3/c1-11(22)8-19-10-18-15-14(19)16(23)20(9-12-6-7-12)17(24)21(15)13-4-2-3-5-13/h10,12-13H,2-9H2,1H3