2-butoxyethanoic acid; N-methyl-4,5-bis(4-methylphenyl)pyrimidin-2-amine

Systemtic Name: 2-butoxyethanoic acid; N-methyl-4,5-bis(4-methylphenyl)pyrimidin-2-amine Openeye Name: 2-butoxyacetic acid; N-methyl-4,5-bis(p-tolyl)pyrimidin-2-amine CAS Name: 2-butoxyacetic acid; N-methyl-4,5-bis(4-methylphenyl)-2-pyrimidinamine IUPAC Name: 2-butoxyacetic acid; N-methyl-4,5-bis(4-methylphenyl)pyrimidin-2-amine Traditional Name: [4,5-bis(p-tolyl)pyrimidin-2-yl]-methyl-amine; 2-butoxyacetic acid Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(=O)O.CC1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=C(C=C3)C)NC

Isomeric SMILES

CCCCOCC(=O)O.CC1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=C(C=C3)C)NC

InChI

InChI=1S/C19H19N3.C6H12O3/c1-13-4-8-15(9-5-13)17-12-21-19(20-3)22-18(17)16-10-6-14(2)7-11-16;1-2-3-4-9-5-6(7)8/h4-12H,1-3H3,(H,20,21,22);2-5H2,1H3,(H,7,8)