3-methyl-7-(3-methylbutyl)-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-[4-(1-oxopropyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(4-propionylpiperazino)xanthine Formula: C18H28N6O3 MolecularWeight: 376.45332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C18H28N6O3/c1-5-13(25)22-8-10-23(11-9-22)17-19-15-14(24(17)7-6-12(2)3)16(26)20-18(27)21(15)4/h12H,5-11H2,1-4H3,(H,20,26,27)