[4-[6-[[4-(diethylamino)phenyl]-methyl-amino]-2-ethylsulfanyl-pyrimidin-4-yl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[6-[[4-(diethylamino)phenyl]-methyl-amino]-2-ethylsulfanyl-pyrimidin-4-yl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[6-[4-(diethylamino)-N-methyl-anilino]-2-ethylsulfanyl-pyrimidin-4-yl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[6-[4-(diethylamino)-N-methylanilino]-2-(ethylthio)-4-pyrimidinyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[6-[4-(diethylamino)-N-methylanilino]-2-ethylsulfanylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[6-[4-(diethylamino)-N-methyl-anilino]-2-(ethylthio)pyrimidin-4-yl]piperazino]-phenyl-methanone Formula: C28H36N6OS MolecularWeight: 504.69004

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N(C)C2=NC(=NC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)SCC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N(C)C2=NC(=NC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)SCC

InChI

InChI=1S/C28H36N6OS/c1-5-32(6-2)24-15-13-23(14-16-24)31(4)25-21-26(30-28(29-25)36-7-3)33-17-19-34(20-18-33)27(35)22-11-9-8-10-12-22/h8-16,21H,5-7,17-20H2,1-4H3