5-methyl-4-[5-(3-piperazin-1-ylphenyl)thiophen-2-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine

Systemtic Name: 5-methyl-4-[5-(3-piperazin-1-ylphenyl)thiophen-2-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine Openeye Name: 5-methyl-4-[5-(3-piperazin-1-ylphenyl)-2-thienyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine CAS Name: 5-methyl-4-[5-[3-(1-piperazinyl)phenyl]-2-thiophenyl]-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-pyrimidinamine IUPAC Name: 5-methyl-4-[5-(3-piperazin-1-ylphenyl)thiophen-2-yl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine Traditional Name: [5-methyl-4-[5-(3-piperazinophenyl)-2-thienyl]pyrimidin-2-yl]-[4-(2-pyrrolidinoethoxy)phenyl]amine Formula: C31H36N6OS MolecularWeight: 540.72214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=C(S2)C3=CC(=CC=C3)N4CCNCC4)NC5=CC=C(C=C5)OCCN6CCCC6

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=C(S2)C3=CC(=CC=C3)N4CCNCC4)NC5=CC=C(C=C5)OCCN6CCCC6

InChI

InChI=1S/C31H36N6OS/c1-23-22-33-31(34-25-7-9-27(10-8-25)38-20-19-36-15-2-3-16-36)35-30(23)29-12-11-28(39-29)24-5-4-6-26(21-24)37-17-13-32-14-18-37/h4-12,21-22,32H,2-3,13-20H2,1H3,(H,33,34,35)