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

Systemtic Name: [4-[6-[[4-(diethylamino)phenyl]amino]-2-ethylsulfanyl-pyrimidin-4-yl]piperazin-1-yl]-pyrimidin-2-yl-methanone Openeye Name: [4-[6-[4-(diethylamino)anilino]-2-ethylsulfanyl-pyrimidin-4-yl]piperazin-1-yl]-pyrimidin-2-yl-methanone CAS Name: [4-[6-[4-(diethylamino)anilino]-2-(ethylthio)-4-pyrimidinyl]-1-piperazinyl]-(2-pyrimidinyl)methanone IUPAC Name: [4-[6-[4-(diethylamino)anilino]-2-ethylsulfanylpyrimidin-4-yl]piperazin-1-yl]-pyrimidin-2-ylmethanone Traditional Name: [4-[6-[4-(diethylamino)anilino]-2-(ethylthio)pyrimidin-4-yl]piperazino]-(2-pyrimidyl)methanone Formula: C25H32N8OS MolecularWeight: 492.63958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCN(CC3)C(=O)C4=NC=CC=N4)SCC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCN(CC3)C(=O)C4=NC=CC=N4)SCC

InChI

InChI=1S/C25H32N8OS/c1-4-31(5-2)20-10-8-19(9-11-20)28-21-18-22(30-25(29-21)35-6-3)32-14-16-33(17-15-32)24(34)23-26-12-7-13-27-23/h7-13,18H,4-6,14-17H2,1-3H3,(H,28,29,30)