8-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-3-butyl-7-ethyl-purine-2,6-dione

Systemtic Name: 8-[(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-3-butyl-7-ethyl-purine-2,6-dione Openeye Name: 8-[(4-amino-6-methyl-pyrimidin-2-yl)sulfanylmethyl]-3-butyl-7-ethyl-purine-2,6-dione CAS Name: 8-[[(4-amino-6-methyl-2-pyrimidinyl)thio]methyl]-3-butyl-7-ethylpurine-2,6-dione IUPAC Name: 8-[(4-amino-6-methylpyrimidin-2-yl)sulfanylmethyl]-3-butyl-7-ethylpurine-2,6-dione Traditional Name: 8-[[(4-amino-6-methyl-pyrimidin-2-yl)thio]methyl]-3-butyl-7-ethyl-xanthine Formula: C17H23N7O2S MolecularWeight: 389.47522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC(=CC(=N3)N)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC(=CC(=N3)N)C)CC

InChI

InChI=1S/C17H23N7O2S/c1-4-6-7-24-14-13(15(25)22-17(24)26)23(5-2)12(21-14)9-27-16-19-10(3)8-11(18)20-16/h8H,4-7,9H2,1-3H3,(H2,18,19,20)(H,22,25,26)