N-ethylethanamine; 4-(2-methylphenyl)-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: N-ethylethanamine; 4-(2-methylphenyl)-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidine-5-carbonitrile Openeye Name: N-ethylethanamine; 4-(o-tolyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile CAS Name: N-ethylethanamine; 4-(2-methylphenyl)-2-(3,4,5-trimethoxyanilino)-5-pyrimidinecarbonitrile IUPAC Name: N-ethylethanamine; 4-(2-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile Traditional Name: diethylamine; 4-(o-tolyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC1=CC=CC=C1C2=NC(=NC=C2C#N)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCNCC.CC1=CC=CC=C1C2=NC(=NC=C2C#N)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H20N4O3.C4H11N/c1-13-7-5-6-8-16(13)19-14(11-22)12-23-21(25-19)24-15-9-17(26-2)20(28-4)18(10-15)27-3;1-3-5-4-2/h5-10,12H,1-4H3,(H,23,24,25);5H,3-4H2,1-2H3