5-[(3-ethyl-4-methyl-phenyl)methylamino]-1-(4-methoxybutyl)-4H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-[(3-ethyl-4-methyl-phenyl)methylamino]-1-(4-methoxybutyl)-4H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[(3-ethyl-4-methyl-phenyl)methylamino]-1-(4-methoxybutyl)-4H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[(3-ethyl-4-methylphenyl)methylamino]-1-(4-methoxybutyl)-4H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-[(3-ethyl-4-methylphenyl)methylamino]-1-(4-methoxybutyl)-4H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-[(3-ethyl-4-methyl-benzyl)amino]-1-(4-methoxybutyl)-4H-triazolo[4,5-d]pyrimidin-7-one Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CNC2=NC(=O)C3=C(N2)N=NN3CCCCOC)C

Isomeric SMILES

CCC1=C(C=CC(=C1)CNC2=NC(=O)C3=C(N2)N=NN3CCCCOC)C

InChI

InChI=1S/C19H26N6O2/c1-4-15-11-14(8-7-13(15)2)12-20-19-21-17-16(18(26)22-19)25(24-23-17)9-5-6-10-27-3/h7-8,11H,4-6,9-10,12H2,1-3H3,(H2,20,21,22,26)