N-[2-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl-methyl-amino]ethylcarbamothioyl]-4-methoxy-benzamide

Systemtic Name: N-[2-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl-methyl-amino]ethylcarbamothioyl]-4-methoxy-benzamide Openeye Name: N-[2-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl-methyl-amino]ethylcarbamothioyl]-4-methoxy-benzamide CAS Name: N-[[2-[2-[[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]amino]ethyl-methylamino]ethylamino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[2-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl-methylamino]ethylcarbamothioyl]-4-methoxybenzamide Traditional Name: N-[2-[2-[(2,6-dipyrrolidinopyrimidin-4-yl)amino]ethyl-methyl-amino]ethylthiocarbamoyl]-4-methoxy-benzamide Formula: C26H38N8O2S MolecularWeight: 526.69732

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCNC1=NC(=NC(=C1)N2CCCC2)N3CCCC3)CCNC(=S)NC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(CCNC1=NC(=NC(=C1)N2CCCC2)N3CCCC3)CCNC(=S)NC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H38N8O2S/c1-32(18-12-28-26(37)31-24(35)20-7-9-21(36-2)10-8-20)17-11-27-22-19-23(33-13-3-4-14-33)30-25(29-22)34-15-5-6-16-34/h7-10,19H,3-6,11-18H2,1-2H3,(H,27,29,30)(H2,28,31,35,37)