4-[(3,4-dimethoxyphenyl)amino]-2-phenyl-N-prop-2-enyl-pyrimidine-5-carboxamide

Systemtic Name: 4-[(3,4-dimethoxyphenyl)amino]-2-phenyl-N-prop-2-enyl-pyrimidine-5-carboxamide Openeye Name: N-allyl-4-(3,4-dimethoxyanilino)-2-phenyl-pyrimidine-5-carboxamide CAS Name: 4-(3,4-dimethoxyanilino)-2-phenyl-N-prop-2-enyl-5-pyrimidinecarboxamide IUPAC Name: 4-(3,4-dimethoxyanilino)-2-phenyl-N-prop-2-enylpyrimidine-5-carboxamide Traditional Name: N-allyl-4-(3,4-dimethoxyanilino)-2-phenyl-pyrimidine-5-carboxamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC=C2C(=O)NCC=C)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC=C2C(=O)NCC=C)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H22N4O3/c1-4-12-23-22(27)17-14-24-20(15-8-6-5-7-9-15)26-21(17)25-16-10-11-18(28-2)19(13-16)29-3/h4-11,13-14H,1,12H2,2-3H3,(H,23,27)(H,24,25,26)