5-(1-benzothiophen-3-yl)-N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-(2-methoxyphenyl)pyrimidine-2,4-diamine

Systemtic Name: 5-(1-benzothiophen-3-yl)-N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-(2-methoxyphenyl)pyrimidine-2,4-diamine Openeye Name: 5-(benzothiophen-3-yl)-N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-(2-methoxyphenyl)pyrimidine-2,4-diamine CAS Name: 5-(1-benzothiophen-3-yl)-N2-[4-(2-diethylaminoethyloxy)phenyl]-N4-(2-methoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 5-(1-benzothiophen-3-yl)-2-N-[4-(2-diethylaminoethyloxy)phenyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine Traditional Name: 2-[4-[[5-(benzothiophen-3-yl)-4-(o-anisidino)pyrimidin-2-yl]amino]phenoxy]ethyl-diethyl-amine Formula: C31H33N5O2S MolecularWeight: 539.69102

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3OC)C4=CSC5=CC=CC=C54

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3OC)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C31H33N5O2S/c1-4-36(5-2)18-19-38-23-16-14-22(15-17-23)33-31-32-20-25(26-21-39-29-13-9-6-10-24(26)29)30(35-31)34-27-11-7-8-12-28(27)37-3/h6-17,20-21H,4-5,18-19H2,1-3H3,(H2,32,33,34,35)