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

Systemtic Name: 8-[(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-7-butyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 8-[(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-3-benzyl-7-butyl-purine-2,6-dione CAS Name: 8-[[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-7-butyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-[(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-3-benzyl-7-butylpurine-2,6-dione Traditional Name: 8-[[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]methyl]-3-benzyl-7-butyl-xanthine Formula: C23H23N7O2S2 MolecularWeight: 493.60442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=NC(=C5C=CSC5=N4)N

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CSC4=NC(=C5C=CSC5=N4)N

InChI

InChI=1S/C23H23N7O2S2/c1-2-3-10-29-16(13-34-22-26-18(24)15-9-11-33-21(15)28-22)25-19-17(29)20(31)27-23(32)30(19)12-14-7-5-4-6-8-14/h4-9,11H,2-3,10,12-13H2,1H3,(H2,24,26,28)(H,27,31,32)