(1S,2R,3S,4R)-4-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,3-bis(oxidanyl)-N-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]cyclopentane-1-carboxamide

Systemtic Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,3-bis(oxidanyl)-N-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]cyclopentane-1-carboxamide Openeye Name: (1S,2R,3S,4R)-N-[3-(benzylamino)-3-oxo-propyl]-4-[7-(butylamino)-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentanecarboxamide CAS Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-2,3-dihydroxy-N-[3-oxo-3-[(phenylmethyl)amino]propyl]-1-cyclopentanecarboxamide IUPAC Name: (1S,2R,3S,4R)-N-[3-(benzylamino)-3-oxopropyl]-4-[7-(butylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentane-1-carboxamide Traditional Name: (1S,2R,3S,4R)-N-[3-(benzylamino)-3-keto-propyl]-4-[7-(butylamino)-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentanecarboxamide Formula: C27H38N8O4S MolecularWeight: 570.70682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=NN2C3CC(C(C3O)O)C(=O)NCCC(=O)NCC4=CC=CC=C4)SCCC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=NN2[C@@H]3C[C@@H]([C@H]([C@H]3O)O)C(=O)NCCC(=O)NCC4=CC=CC=C4)SCCC

InChI

InChI=1S/C27H38N8O4S/c1-3-5-12-28-24-21-25(32-27(31-24)40-14-4-2)35(34-33-21)19-15-18(22(37)23(19)38)26(39)29-13-11-20(36)30-16-17-9-7-6-8-10-17/h6-10,18-19,22-23,37-38H,3-5,11-16H2,1-2H3,(H,29,39)(H,30,36)(H,28,31,32)/t18-,19+,22+,23-/m0/s1