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

Systemtic Name: [4-[2-butylsulfanyl-6-[[4-(diethylamino)phenyl]amino]pyrimidin-4-yl]piperazin-1-yl]-pyrimidin-2-yl-methanone Openeye Name: [4-[2-butylsulfanyl-6-[4-(diethylamino)anilino]pyrimidin-4-yl]piperazin-1-yl]-pyrimidin-2-yl-methanone CAS Name: [4-[2-(butylthio)-6-[4-(diethylamino)anilino]-4-pyrimidinyl]-1-piperazinyl]-(2-pyrimidinyl)methanone IUPAC Name: [4-[2-butylsulfanyl-6-[4-(diethylamino)anilino]pyrimidin-4-yl]piperazin-1-yl]-pyrimidin-2-ylmethanone Traditional Name: [4-[2-(butylthio)-6-[4-(diethylamino)anilino]pyrimidin-4-yl]piperazino]-(2-pyrimidyl)methanone Formula: C27H36N8OS MolecularWeight: 520.69274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N(CC)CC)N3CCN(CC3)C(=O)C4=NC=CC=N4

Isomeric SMILES

CCCCSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N(CC)CC)N3CCN(CC3)C(=O)C4=NC=CC=N4

InChI

InChI=1S/C27H36N8OS/c1-4-7-19-37-27-31-23(30-21-9-11-22(12-10-21)33(5-2)6-3)20-24(32-27)34-15-17-35(18-16-34)26(36)25-28-13-8-14-29-25/h8-14,20H,4-7,15-19H2,1-3H3,(H,30,31,32)