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

Systemtic Name: 4-methyl-3-[[4-(2-methylbutylamino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzamide Openeye Name: 4-methyl-3-[[4-(2-methylbutylamino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzamide CAS Name: 4-methyl-3-[[4-(2-methylbutylamino)-6-(3-pyrrolidinylamino)-1,3,5-triazin-2-yl]amino]benzamide IUPAC Name: 4-methyl-3-[[4-(2-methylbutylamino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzamide Traditional Name: 4-methyl-3-[[4-(2-methylbutylamino)-6-(pyrrolidin-3-ylamino)-s-triazin-2-yl]amino]benzamide Formula: C20H30N8O MolecularWeight: 398.5052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=NC(=NC(=N1)NC2CCNC2)NC3=C(C=CC(=C3)C(=O)N)C

Isomeric SMILES

CCC(C)CNC1=NC(=NC(=N1)NC2CCNC2)NC3=C(C=CC(=C3)C(=O)N)C

InChI

InChI=1S/C20H30N8O/c1-4-12(2)10-23-18-26-19(24-15-7-8-22-11-15)28-20(27-18)25-16-9-14(17(21)29)6-5-13(16)3/h5-6,9,12,15,22H,4,7-8,10-11H2,1-3H3,(H2,21,29)(H3,23,24,25,26,27,28)