1-[2-[5-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]pyrimidin-4-yl]-1-benzothiophen-5-yl]pentan-1-one

Systemtic Name: 1-[2-[5-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]pyrimidin-4-yl]-1-benzothiophen-5-yl]pentan-1-one Openeye Name: 1-[2-[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]benzothiophen-5-yl]pentan-1-one CAS Name: 1-[2-[5-methyl-2-[4-[2-(1-pyrrolidinyl)ethoxy]anilino]-4-pyrimidinyl]-1-benzothiophen-5-yl]-1-pentanone IUPAC Name: 1-[2-[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]-1-benzothiophen-5-yl]pentan-1-one Traditional Name: 1-[2-[5-methyl-2-[4-(2-pyrrolidinoethoxy)anilino]pyrimidin-4-yl]benzothiophen-5-yl]pentan-1-one Formula: C30H34N4O2S MolecularWeight: 514.68156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC2=C(C=C1)SC(=C2)C3=NC(=NC=C3C)NC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CCCCC(=O)C1=CC2=C(C=C1)SC(=C2)C3=NC(=NC=C3C)NC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C30H34N4O2S/c1-3-4-7-26(35)22-8-13-27-23(18-22)19-28(37-27)29-21(2)20-31-30(33-29)32-24-9-11-25(12-10-24)36-17-16-34-14-5-6-15-34/h8-13,18-20H,3-7,14-17H2,1-2H3,(H,31,32,33)