N4-(1-benzothiophen-5-yl)-5-methyl-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-(1-benzothiophen-5-yl)-5-methyl-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(benzothiophen-5-yl)-5-methyl-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine CAS Name: N4-(1-benzothiophen-5-yl)-5-methyl-N2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(1-benzothiophen-5-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine Traditional Name: benzothiophen-5-yl-[5-methyl-2-[4-(2-pyrrolidinoethoxy)anilino]pyrimidin-4-yl]amine Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC3=C(C=C2)SC=C3)NC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC3=C(C=C2)SC=C3)NC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C25H27N5OS/c1-18-17-26-25(29-24(18)27-21-6-9-23-19(16-21)10-15-32-23)28-20-4-7-22(8-5-20)31-14-13-30-11-2-3-12-30/h4-10,15-17H,2-3,11-14H2,1H3,(H2,26,27,28,29)