7-phenyl-2,4-dipropyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one

Systemtic Name: 7-phenyl-2,4-dipropyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 7-phenyl-2,4-dipropyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 7-phenyl-2,4-dipropyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 7-phenyl-2,4-dipropyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 7-phenyl-2,4-dipropyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C18H20N6O MolecularWeight: 336.391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN2C3=C(C(=O)N(C2=N1)CCC)NC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NN2C3=C(C(=O)N(C2=N1)CCC)NC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H20N6O/c1-3-8-13-19-18-23(11-4-2)17(25)14-16(24(18)22-13)21-15(20-14)12-9-6-5-7-10-12/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,20,21)