N4-(1-benzothiophen-3-yl)-5-methyl-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-(1-benzothiophen-3-yl)-5-methyl-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine Openeye Name: N4-(benzothiophen-3-yl)-5-methyl-N2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine CAS Name: N4-(1-benzothiophen-3-yl)-5-methyl-N2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(1-benzothiophen-3-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine Traditional Name: benzothiophen-3-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=CSC3=CC=CC=C32)NC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1=CN=C(N=C1NC2=CSC3=CC=CC=C32)NC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C25H27N5OS/c1-18-16-26-25(29-24(18)28-22-17-32-23-7-3-2-6-21(22)23)27-19-8-10-20(11-9-19)31-15-14-30-12-4-5-13-30/h2-3,6-11,16-17H,4-5,12-15H2,1H3,(H2,26,27,28,29)