1-methyl-5-[2-propoxy-5-[4-(2H-1,2,3,4-tetrazol-5-ylmethyl)piperidin-1-yl]sulfonyl-phenyl]-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one

Systemtic Name: 1-methyl-5-[2-propoxy-5-[4-(2H-1,2,3,4-tetrazol-5-ylmethyl)piperidin-1-yl]sulfonyl-phenyl]-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Openeye Name: 1-methyl-5-[2-propoxy-5-[[4-(2H-tetrazol-5-ylmethyl)-1-piperidyl]sulfonyl]phenyl]-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one CAS Name: 1-methyl-5-[2-propoxy-5-[[4-(2H-tetrazol-5-ylmethyl)-1-piperidinyl]sulfonyl]phenyl]-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one IUPAC Name: 1-methyl-5-[2-propoxy-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]sulfonylphenyl]-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Traditional Name: 1-methyl-5-[2-propoxy-5-[4-(2H-tetrazol-5-ylmethyl)piperidino]sulfonyl-phenyl]-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Formula: C26H38N8O4S MolecularWeight: 558.69612

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=C(C(=O)NC2C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)CC5=NNN=N5)OCCC)N(C1)C

Isomeric SMILES

CCCN1CC2=C(C(=O)NC2C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)CC5=NNN=N5)OCCC)N(C1)C

InChI

InChI=1S/C26H38N8O4S/c1-4-10-33-16-21-24(27-26(35)25(21)32(3)17-33)20-15-19(6-7-22(20)38-13-5-2)39(36,37)34-11-8-18(9-12-34)14-23-28-30-31-29-23/h6-7,15,18,24H,4-5,8-14,16-17H2,1-3H3,(H,27,35)(H,28,29,30,31)