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

Systemtic Name: [4-[2-butylsulfanyl-6-[[4-(diethylamino)phenyl]amino]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[2-butylsulfanyl-6-[4-(diethylamino)anilino]pyrimidin-4-yl]piperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[2-(butylthio)-6-[4-(diethylamino)anilino]-4-pyrimidinyl]-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[2-butylsulfanyl-6-[4-(diethylamino)anilino]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[2-(butylthio)-6-[4-(diethylamino)anilino]pyrimidin-4-yl]piperazino]-(4-pyridyl)methanone Formula: C28H37N7OS MolecularWeight: 519.70468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N(CC)CC)N3CCN(CC3)C(=O)C4=CC=NC=C4

Isomeric SMILES

CCCCSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N(CC)CC)N3CCN(CC3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C28H37N7OS/c1-4-7-20-37-28-31-25(30-23-8-10-24(11-9-23)33(5-2)6-3)21-26(32-28)34-16-18-35(19-17-34)27(36)22-12-14-29-15-13-22/h8-15,21H,4-7,16-20H2,1-3H3,(H,30,31,32)