4-[5-[(3-tert-butylphenyl)amino]thiophen-2-yl]-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine

Systemtic Name: 4-[5-[(3-tert-butylphenyl)amino]thiophen-2-yl]-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine Openeye Name: 4-[5-(3-tert-butylanilino)-2-thienyl]-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine CAS Name: 4-[5-(3-tert-butylanilino)-2-thiophenyl]-5-methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-pyrimidinamine IUPAC Name: 4-[5-(3-tert-butylanilino)thiophen-2-yl]-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine Traditional Name: [4-[5-(3-tert-butylanilino)-2-thienyl]-5-methyl-pyrimidin-2-yl]-[4-(2-pyrrolidinoethoxy)phenyl]amine Formula: C31H37N5OS MolecularWeight: 527.72338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=C(S2)NC3=CC=CC(=C3)C(C)(C)C)NC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=C(S2)NC3=CC=CC(=C3)C(C)(C)C)NC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C31H37N5OS/c1-22-21-32-30(34-24-10-12-26(13-11-24)37-19-18-36-16-5-6-17-36)35-29(22)27-14-15-28(38-27)33-25-9-7-8-23(20-25)31(2,3)4/h7-15,20-21,33H,5-6,16-19H2,1-4H3,(H,32,34,35)