3-[[4-[(2-methoxyphenyl)carbamoylamino]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]-[(3-methylphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[[4-[(2-methoxyphenyl)carbamoylamino]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]-[(3-methylphenyl)methyl]amino]propanoic acid Openeye Name: 3-[[4-(allylamino)-6-[(2-methoxyphenyl)carbamoylamino]-1,3,5-triazin-2-yl]-(m-tolylmethyl)amino]propanoic acid CAS Name: 3-[[4-[[(2-methoxyanilino)-oxomethyl]amino]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]-[(3-methylphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[[4-[(2-methoxyphenyl)carbamoylamino]-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]-[(3-methylphenyl)methyl]amino]propanoic acid Traditional Name: 3-[[4-(allylamino)-6-[(2-methoxyphenyl)carbamoylamino]-s-triazin-2-yl]-(3-methylbenzyl)amino]propionic acid Formula: C25H29N7O4 MolecularWeight: 491.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(CCC(=O)O)C2=NC(=NC(=N2)NCC=C)NC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=CC=C1)CN(CCC(=O)O)C2=NC(=NC(=N2)NCC=C)NC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C25H29N7O4/c1-4-13-26-22-28-23(31-25(35)27-19-10-5-6-11-20(19)36-3)30-24(29-22)32(14-12-21(33)34)16-18-9-7-8-17(2)15-18/h4-11,15H,1,12-14,16H2,2-3H3,(H,33,34)(H3,26,27,28,29,30,31,35)