6-(2-ethoxy-5-piperazin-1-ylsulfonyl-phenyl)-7-iodanyl-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 6-(2-ethoxy-5-piperazin-1-ylsulfonyl-phenyl)-7-iodanyl-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione Openeye Name: 6-(2-ethoxy-5-piperazin-1-ylsulfonyl-phenyl)-7-iodo-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione CAS Name: 6-[2-ethoxy-5-(1-piperazinylsulfonyl)phenyl]-7-iodo-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione IUPAC Name: 6-(2-ethoxy-5-piperazin-1-ylsulfonylphenyl)-7-iodo-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione Traditional Name: 6-(2-ethoxy-5-piperazinosulfonyl-phenyl)-7-iodo-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-quinone Formula: C22H28IN5O5S MolecularWeight: 601.45769

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)NC(=C2I)C3=C(C=CC(=C3)S(=O)(=O)N4CCNCC4)OCC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)NC(=C2I)C3=C(C=CC(=C3)S(=O)(=O)N4CCNCC4)OCC

InChI

InChI=1S/C22H28IN5O5S/c1-4-10-28-20-17(23)18(25-19(20)21(29)26(3)22(28)30)15-13-14(6-7-16(15)33-5-2)34(31,32)27-11-8-24-9-12-27/h6-7,13,24-25H,4-5,8-12H2,1-3H3