2-[3-[2-ethoxy-4-(3-oxidanylpropyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[3-[2-ethoxy-4-(3-oxidanylpropyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 2-[3-[2-ethoxy-4-(3-hydroxypropyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 2-[3-[[2-ethoxy-4-(3-hydroxypropyl)-1-piperazinyl]sulfonyl]phenyl]-5-methyl-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-[3-[2-ethoxy-4-(3-hydroxypropyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 2-[3-[2-ethoxy-4-(3-hydroxypropyl)piperazino]sulfonylphenyl]-5-methyl-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-4-one Formula: C25H35N5O5S MolecularWeight: 517.6409

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=C1NC(=NC2=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4OCC)CCCO)C

Isomeric SMILES

CCCC1=CN(C2=C1NC(=NC2=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4OCC)CCCO)C

InChI

InChI=1S/C25H35N5O5S/c1-4-8-19-16-28(3)23-22(19)26-24(27-25(23)32)18-9-6-10-20(15-18)36(33,34)30-13-12-29(11-7-14-31)17-21(30)35-5-2/h6,9-10,15-16,21,31H,4-5,7-8,11-14,17H2,1-3H3,(H,26,27,32)