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

Systemtic Name: 8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-[(4-ethylpiperazin-1-yl)methyl]-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-[(4-ethyl-1-piperazinyl)methyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[(4-ethylpiperazino)methyl]-7-isoamyl-3-methyl-xanthine Formula: C18H30N6O2 MolecularWeight: 362.4698

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C18H30N6O2/c1-5-22-8-10-23(11-9-22)12-14-19-16-15(24(14)7-6-13(2)3)17(25)20-18(26)21(16)4/h13H,5-12H2,1-4H3,(H,20,25,26)