5-azanyl-7-cyclohexyl-2-(phenylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

Systemtic Name: 5-azanyl-7-cyclohexyl-2-(phenylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Openeye Name: 5-amino-2-benzyl-7-cyclohexyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one CAS Name: 5-amino-7-cyclohexyl-2-(phenylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one IUPAC Name: 5-amino-2-benzyl-7-cyclohexyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Traditional Name: 5-amino-2-benzyl-7-cyclohexyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Formula: C18H21N5O MolecularWeight: 323.39224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=NN(C(=O)N3C(=N2)N)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=CC3=NN(C(=O)N3C(=N2)N)CC4=CC=CC=C4

InChI

InChI=1S/C18H21N5O/c19-17-20-15(14-9-5-2-6-10-14)11-16-21-22(18(24)23(16)17)12-13-7-3-1-4-8-13/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H2,19,20)