3-(cyclohexylmethyl)-1-(cyclopropylmethyl)-7-(3-oxidanylidenebutyl)purine-2,6-dione

Systemtic Name: 3-(cyclohexylmethyl)-1-(cyclopropylmethyl)-7-(3-oxidanylidenebutyl)purine-2,6-dione Openeye Name: 3-(cyclohexylmethyl)-1-(cyclopropylmethyl)-7-(3-oxobutyl)purine-2,6-dione CAS Name: 3-(cyclohexylmethyl)-1-(cyclopropylmethyl)-7-(3-oxobutyl)purine-2,6-dione IUPAC Name: 3-(cyclohexylmethyl)-1-(cyclopropylmethyl)-7-(3-oxobutyl)purine-2,6-dione Traditional Name: 3-(cyclohexylmethyl)-1-(cyclopropylmethyl)-7-(3-ketobutyl)xanthine Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3CCCCC3)CC4CC4

Isomeric SMILES

CC(=O)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3CCCCC3)CC4CC4

InChI

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