4-(1-benzothiophen-2-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine

Systemtic Name: 4-(1-benzothiophen-2-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine Openeye Name: 4-(benzothiophen-2-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine CAS Name: 4-(1-benzothiophen-2-yl)-5-methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-pyrimidinamine IUPAC Name: 4-(1-benzothiophen-2-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine Traditional Name: [4-(benzothiophen-2-yl)-5-methyl-pyrimidin-2-yl]-[4-(2-pyrrolidinoethoxy)phenyl]amine Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC3=CC=CC=C3S2)NC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1=CN=C(N=C1C2=CC3=CC=CC=C3S2)NC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C25H26N4OS/c1-18-17-26-25(28-24(18)23-16-19-6-2-3-7-22(19)31-23)27-20-8-10-21(11-9-20)30-15-14-29-12-4-5-13-29/h2-3,6-11,16-17H,4-5,12-15H2,1H3,(H,26,27,28)