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

Systemtic Name: [4-[6-[[4-(diethylamino)phenyl]amino]-2-ethylsulfanyl-pyrimidin-4-yl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[6-[4-(diethylamino)anilino]-2-ethylsulfanyl-pyrimidin-4-yl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[6-[4-(diethylamino)anilino]-2-(ethylthio)-4-pyrimidinyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[6-[4-(diethylamino)anilino]-2-ethylsulfanylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[6-[4-(diethylamino)anilino]-2-(ethylthio)pyrimidin-4-yl]piperazino]-phenyl-methanone Formula: C27H34N6OS MolecularWeight: 490.66346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)SCC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)SCC

InChI

InChI=1S/C27H34N6OS/c1-4-31(5-2)23-14-12-22(13-15-23)28-24-20-25(30-27(29-24)35-6-3)32-16-18-33(19-17-32)26(34)21-10-8-7-9-11-21/h7-15,20H,4-6,16-19H2,1-3H3,(H,28,29,30)