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

Systemtic Name: 3-butyl-7-ethyl-8-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]xanthine Formula: C20H24N6O2S2 MolecularWeight: 444.57356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC=NC4=C3C=C(S4)CC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC=NC4=C3C=C(S4)CC)CC

InChI

InChI=1S/C20H24N6O2S2/c1-4-7-8-26-16-15(17(27)24-20(26)28)25(6-3)14(23-16)10-29-18-13-9-12(5-2)30-19(13)22-11-21-18/h9,11H,4-8,10H2,1-3H3,(H,24,27,28)