5-(5-imidazol-1-ylsulfonyl-2-propoxy-phenyl)-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one

Systemtic Name: 5-(5-imidazol-1-ylsulfonyl-2-propoxy-phenyl)-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Openeye Name: 5-(5-imidazol-1-ylsulfonyl-2-propoxy-phenyl)-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one CAS Name: 5-[5-(1-imidazolylsulfonyl)-2-propoxyphenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one IUPAC Name: 5-(5-imidazol-1-ylsulfonyl-2-propoxyphenyl)-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Traditional Name: 5-(5-imidazol-1-ylsulfonyl-2-propoxy-phenyl)-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=C(C(=O)NC2C3=C(C=CC(=C3)S(=O)(=O)N4C=CN=C4)OCCC)N(C1)C

Isomeric SMILES

CCCN1CC2=C(C(=O)NC2C3=C(C=CC(=C3)S(=O)(=O)N4C=CN=C4)OCCC)N(C1)C

InChI

InChI=1S/C22H29N5O4S/c1-4-9-26-13-18-20(24-22(28)21(18)25(3)15-26)17-12-16(6-7-19(17)31-11-5-2)32(29,30)27-10-8-23-14-27/h6-8,10,12,14,20H,4-5,9,11,13,15H2,1-3H3,(H,24,28)