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

Systemtic Name: 2-[2-ethoxy-5-[4-(3-oxidanylpropyl)piperazin-1-yl]sulfonyl-phenyl]-5-methyl-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 2-[2-ethoxy-5-[4-(3-hydroxypropyl)piperazin-1-yl]sulfonyl-phenyl]-5-methyl-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 2-[2-ethoxy-5-[[4-(3-hydroxypropyl)-1-piperazinyl]sulfonyl]phenyl]-5-methyl-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-[2-ethoxy-5-[4-(3-hydroxypropyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 2-[2-ethoxy-5-[4-(3-hydroxypropyl)piperazino]sulfonyl-phenyl]-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=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCCO)OCC)C

Isomeric SMILES

CCCC1=CN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCCO)OCC)C

InChI

InChI=1S/C25H35N5O5S/c1-4-7-18-17-28(3)23-22(18)26-24(27-25(23)32)20-16-19(8-9-21(20)35-5-2)36(33,34)30-13-11-29(12-14-30)10-6-15-31/h8-9,16-17,31H,4-7,10-15H2,1-3H3,(H,26,27,32)