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

Systemtic Name: 3-[[4-hexan-2-yl-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]-4-methyl-benzamide Openeye Name: 4-methyl-3-[[4-(1-methylpentyl)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzamide CAS Name: 3-[[4-hexan-2-yl-6-(3-pyrrolidinylamino)-1,3,5-triazin-2-yl]amino]-4-methylbenzamide IUPAC Name: 3-[[4-hexan-2-yl-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylbenzamide Traditional Name: 4-methyl-3-[[4-(1-methylpentyl)-6-(pyrrolidin-3-ylamino)-s-triazin-2-yl]amino]benzamide Formula: C21H31N7O MolecularWeight: 397.51714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1=NC(=NC(=N1)NC2CCNC2)NC3=C(C=CC(=C3)C(=O)N)C

Isomeric SMILES

CCCCC(C)C1=NC(=NC(=N1)NC2CCNC2)NC3=C(C=CC(=C3)C(=O)N)C

InChI

InChI=1S/C21H31N7O/c1-4-5-6-14(3)19-26-20(24-16-9-10-23-12-16)28-21(27-19)25-17-11-15(18(22)29)8-7-13(17)2/h7-8,11,14,16,23H,4-6,9-10,12H2,1-3H3,(H2,22,29)(H2,24,25,26,27,28)