2-(phenylmethyl)-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,2,4-triazin-3-one

Systemtic Name: 2-(phenylmethyl)-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,2,4-triazin-3-one Openeye Name: 2-benzyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,2,4-triazin-3-one CAS Name: 2-(phenylmethyl)-5-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butoxy]-1,2,4-triazin-3-one IUPAC Name: 2-benzyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]-1,2,4-triazin-3-one Traditional Name: 2-benzyl-5-[4-[4-(2-pyrimidyl)piperazino]butoxy]-1,2,4-triazin-3-one Formula: C22H27N7O2 MolecularWeight: 421.49548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCOC2=NC(=O)N(N=C2)CC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCOC2=NC(=O)N(N=C2)CC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N7O2/c30-22-26-20(17-25-29(22)18-19-7-2-1-3-8-19)31-16-5-4-11-27-12-14-28(15-13-27)21-23-9-6-10-24-21/h1-3,6-10,17H,4-5,11-16,18H2