1-methyl-5-[5-[4-(4-oxidanylbutyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one

Systemtic Name: 1-methyl-5-[5-[4-(4-oxidanylbutyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Openeye Name: 5-[5-[4-(4-hydroxybutyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one CAS Name: 5-[5-[[4-(4-hydroxybutyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one IUPAC Name: 5-[5-[4-(4-hydroxybutyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Traditional Name: 5-[5-[4-(4-hydroxybutyl)piperazino]sulfonyl-2-propoxy-phenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Formula: C27H43N5O5S MolecularWeight: 549.72582

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=C(C(=O)NC2C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCCCO)OCCC)N(C1)C

Isomeric SMILES

CCCN1CC2=C(C(=O)NC2C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCCCO)OCCC)N(C1)C

InChI

InChI=1S/C27H43N5O5S/c1-4-10-31-19-23-25(28-27(34)26(23)29(3)20-31)22-18-21(8-9-24(22)37-17-5-2)38(35,36)32-14-12-30(13-15-32)11-6-7-16-33/h8-9,18,25,33H,4-7,10-17,19-20H2,1-3H3,(H,28,34)