N4-[1-(phenylsulfonyl)indol-5-yl]-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-[1-(phenylsulfonyl)indol-5-yl]-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Openeye Name: N4-[1-(benzenesulfonyl)indol-5-yl]-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine CAS Name: N4-[1-(benzenesulfonyl)-5-indolyl]-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-[1-(benzenesulfonyl)indol-5-yl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Traditional Name: (1-besylindol-5-yl)-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amine Formula: C27H25N5O5S MolecularWeight: 531.5829

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)N(C=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)N(C=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O5S/c1-35-23-16-20(17-24(36-2)26(23)37-3)30-27-28-13-11-25(31-27)29-19-9-10-22-18(15-19)12-14-32(22)38(33,34)21-7-5-4-6-8-21/h4-17H,1-3H3,(H2,28,29,30,31)