6-butyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1,4-dihydropyrrolo[3,4-d]pyrimidine-5,7-dione

Systemtic Name: 6-butyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1,4-dihydropyrrolo[3,4-d]pyrimidine-5,7-dione Openeye Name: 6-butyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1,4-dihydropyrrolo[3,4-d]pyrimidine-5,7-dione CAS Name: 6-butyl-2-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1,4-dihydropyrrolo[3,4-d]pyrimidine-5,7-dione IUPAC Name: 6-butyl-2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,4-dihydropyrrolo[3,4-d]pyrimidine-5,7-dione Traditional Name: 6-butyl-2-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1,4-dihydropyrrolo[3,4-d]pyrimidine-5,7-quinone Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)NC(=NC2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)NC(=NC2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

InChI

InChI=1S/C23H31N5O5S/c1-4-6-9-28-22(29)18-15-24-21(25-20(18)23(28)30)17-14-16(7-8-19(17)33-5-2)34(31,32)27-12-10-26(3)11-13-27/h7-8,14H,4-6,9-13,15H2,1-3H3,(H,24,25)