8-[[(2S)-butan-2-yl]amino]-3-methyl-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 8-[[(2S)-butan-2-yl]amino]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-[[(1S)-1-methylpropyl]amino]purine-2,6-dione CAS Name: 8-[[(2S)-butan-2-yl]amino]-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-[[(2S)-butan-2-yl]amino]-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-[[(1S)-1-methylpropyl]amino]xanthine Formula: C15H25N5O2 MolecularWeight: 307.3913

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CC[C@H](C)NC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H25N5O2/c1-6-10(4)16-14-17-12-11(20(14)8-7-9(2)3)13(21)18-15(22)19(12)5/h9-10H,6-8H2,1-5H3,(H,16,17)(H,18,21,22)/t10-/m0/s1