4-methyl-3-[[4-(naphthalen-1-ylmethylamino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzamide

Systemtic Name: 4-methyl-3-[[4-(naphthalen-1-ylmethylamino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzamide Openeye Name: 4-methyl-3-[[4-(1-naphthylmethylamino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzamide CAS Name: 4-methyl-3-[[4-(1-naphthalenylmethylamino)-6-(3-pyrrolidinylamino)-1,3,5-triazin-2-yl]amino]benzamide IUPAC Name: 4-methyl-3-[[4-(naphthalen-1-ylmethylamino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzamide Traditional Name: 4-methyl-3-[[4-(1-naphthylmethylamino)-6-(pyrrolidin-3-ylamino)-s-triazin-2-yl]amino]benzamide Formula: C26H28N8O MolecularWeight: 468.55352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N)NC2=NC(=NC(=N2)NCC3=CC=CC4=CC=CC=C43)NC5CCNC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N)NC2=NC(=NC(=N2)NCC3=CC=CC4=CC=CC=C43)NC5CCNC5

InChI

InChI=1S/C26H28N8O/c1-16-9-10-18(23(27)35)13-22(16)31-26-33-24(32-25(34-26)30-20-11-12-28-15-20)29-14-19-7-4-6-17-5-2-3-8-21(17)19/h2-10,13,20,28H,11-12,14-15H2,1H3,(H2,27,35)(H3,29,30,31,32,33,34)