2-[(4-phenylmethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2-[(4-phenylmethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-[(4-benzyloxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 2-[(4-phenylmethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-[(4-phenylmethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-[(4-benzoxybenzyl)amino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N2C(=N1)N=C(N2)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=O)N2C(=N1)N=C(N2)NCC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2/c1-2-6-18-13-20(28)27-22(24-18)25-21(26-27)23-14-16-9-11-19(12-10-16)29-15-17-7-4-3-5-8-17/h3-5,7-13H,2,6,14-15H2,1H3,(H2,23,24,25,26)