1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-4-(phenylmethyl)phthalazine

Systemtic Name: 1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-4-(phenylmethyl)phthalazine Openeye Name: 1-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]phthalazine CAS Name: 1-[4-(4,6-dimethyl-2-pyrimidinyl)-1-piperazinyl]-4-(phenylmethyl)phthalazine IUPAC Name: 1-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]phthalazine Traditional Name: 1-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazino]phthalazine Formula: C25H26N6 MolecularWeight: 410.51414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5)C

InChI

InChI=1S/C25H26N6/c1-18-16-19(2)27-25(26-18)31-14-12-30(13-15-31)24-22-11-7-6-10-21(22)23(28-29-24)17-20-8-4-3-5-9-20/h3-11,16H,12-15,17H2,1-2H3