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

Systemtic Name: 5-methyl-2-[5-[4-(3-oxidanylpropyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 2-[5-[4-(3-hydroxypropyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-5-methyl-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 2-[5-[[4-(3-hydroxypropyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-5-methyl-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-[5-[4-(3-hydroxypropyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-5-methyl-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 2-[5-[4-(3-hydroxypropyl)piperazino]sulfonyl-2-propoxy-phenyl]-5-methyl-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-4-one Formula: C26H37N5O5S MolecularWeight: 531.66748

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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)OCCC)C

Isomeric SMILES

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

InChI

InChI=1S/C26H37N5O5S/c1-4-7-19-18-29(3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-13-11-30(12-14-31)10-6-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33)