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

Systemtic Name: 4-methyl-3-[[4-(2-methylpropylsulfonyl)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzamide Openeye Name: 3-[[4-isobutylsulfonyl-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]-4-methyl-benzamide CAS Name: 4-methyl-3-[[4-(2-methylpropylsulfonyl)-6-(3-pyrrolidinylamino)-1,3,5-triazin-2-yl]amino]benzamide IUPAC Name: 4-methyl-3-[[4-(2-methylpropylsulfonyl)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzamide Traditional Name: 3-[[4-isobutylsulfonyl-6-(pyrrolidin-3-ylamino)-s-triazin-2-yl]amino]-4-methyl-benzamide Formula: C19H27N7O3S MolecularWeight: 433.52778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N)NC2=NC(=NC(=N2)S(=O)(=O)CC(C)C)NC3CCNC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N)NC2=NC(=NC(=N2)S(=O)(=O)CC(C)C)NC3CCNC3

InChI

InChI=1S/C19H27N7O3S/c1-11(2)10-30(28,29)19-25-17(22-14-6-7-21-9-14)24-18(26-19)23-15-8-13(16(20)27)5-4-12(15)3/h4-5,8,11,14,21H,6-7,9-10H2,1-3H3,(H2,20,27)(H2,22,23,24,25,26)