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

Systemtic Name: [4-[6-[[4-(diethylamino)phenyl]amino]-2-ethylsulfanyl-pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[6-[4-(diethylamino)anilino]-2-ethylsulfanyl-pyrimidin-4-yl]piperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[6-[4-(diethylamino)anilino]-2-(ethylthio)-4-pyrimidinyl]-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[6-[4-(diethylamino)anilino]-2-ethylsulfanylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[6-[4-(diethylamino)anilino]-2-(ethylthio)pyrimidin-4-yl]piperazino]-(4-pyridyl)methanone Formula: C26H33N7OS MolecularWeight: 491.65152

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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=CC=NC=C4)SCC

Isomeric SMILES

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

InChI

InChI=1S/C26H33N7OS/c1-4-31(5-2)22-9-7-21(8-10-22)28-23-19-24(30-26(29-23)35-6-3)32-15-17-33(18-16-32)25(34)20-11-13-27-14-12-20/h7-14,19H,4-6,15-18H2,1-3H3,(H,28,29,30)