4-azanyl-2-[butyl(naphthalen-1-ylmethyl)amino]-1-(1H-imidazol-5-yl)-5-oxidanyl-4-pyrimidin-2-ylsulfanyl-heptan-3-one

Systemtic Name: 4-azanyl-2-[butyl(naphthalen-1-ylmethyl)amino]-1-(1H-imidazol-5-yl)-5-oxidanyl-4-pyrimidin-2-ylsulfanyl-heptan-3-one Openeye Name: 4-amino-2-[butyl(1-naphthylmethyl)amino]-5-hydroxy-1-(1H-imidazol-5-yl)-4-pyrimidin-2-ylsulfanyl-heptan-3-one CAS Name: 4-amino-2-[butyl(1-naphthalenylmethyl)amino]-5-hydroxy-1-(1H-imidazol-5-yl)-4-(2-pyrimidinylthio)-3-heptanone IUPAC Name: 4-amino-2-[butyl(naphthalen-1-ylmethyl)amino]-5-hydroxy-1-(1H-imidazol-5-yl)-4-pyrimidin-2-ylsulfanylheptan-3-one Traditional Name: 4-amino-2-[butyl(1-naphthylmethyl)amino]-5-hydroxy-1-(1H-imidazol-5-yl)-4-(2-pyrimidylthio)heptan-3-one Formula: C29H36N6O2S MolecularWeight: 532.70014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC2=CC=CC=C21)C(CC3=CN=CN3)C(=O)C(C(CC)O)(N)SC4=NC=CC=N4

Isomeric SMILES

CCCCN(CC1=CC=CC2=CC=CC=C21)C(CC3=CN=CN3)C(=O)C(C(CC)O)(N)SC4=NC=CC=N4

InChI

InChI=1S/C29H36N6O2S/c1-3-5-16-35(19-22-12-8-11-21-10-6-7-13-24(21)22)25(17-23-18-31-20-34-23)27(37)29(30,26(36)4-2)38-28-32-14-9-15-33-28/h6-15,18,20,25-26,36H,3-5,16-17,19,30H2,1-2H3,(H,31,34)