4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-naphthalen-2-ylsulfanyl-pyrimidin-2-amine

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-naphthalen-2-ylsulfanyl-pyrimidin-2-amine Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-naphthylsulfanyl)pyrimidin-2-amine CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-(2-naphthalenylthio)-2-pyrimidinamine IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-naphthalen-2-ylsulfanylpyrimidin-2-amine Traditional Name: [4-[4-(2,3-dimethylphenyl)piperazino]-6-(2-naphthylthio)pyrimidin-2-yl]amine Formula: C26H27N5S MolecularWeight: 441.59108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=CC(=NC(=N3)N)SC4=CC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=CC(=NC(=N3)N)SC4=CC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C26H27N5S/c1-18-6-5-9-23(19(18)2)30-12-14-31(15-13-30)24-17-25(29-26(27)28-24)32-22-11-10-20-7-3-4-8-21(20)16-22/h3-11,16-17H,12-15H2,1-2H3,(H2,27,28,29)