3-[2,6-bis(azanyl)-5-phenyl-pyrimidin-4-yl]-N-(3,4-dimethylphenyl)propanamide

Systemtic Name: 3-[2,6-bis(azanyl)-5-phenyl-pyrimidin-4-yl]-N-(3,4-dimethylphenyl)propanamide Openeye Name: 3-(2,6-diamino-5-phenyl-pyrimidin-4-yl)-N-(3,4-dimethylphenyl)propanamide CAS Name: 3-(2,6-diamino-5-phenyl-4-pyrimidinyl)-N-(3,4-dimethylphenyl)propanamide IUPAC Name: 3-(2,6-diamino-5-phenylpyrimidin-4-yl)-N-(3,4-dimethylphenyl)propanamide Traditional Name: 3-(2,6-diamino-5-phenyl-pyrimidin-4-yl)-N-(3,4-dimethylphenyl)propionamide Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=C(C(=NC(=N2)N)N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=C(C(=NC(=N2)N)N)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23N5O/c1-13-8-9-16(12-14(13)2)24-18(27)11-10-17-19(15-6-4-3-5-7-15)20(22)26-21(23)25-17/h3-9,12H,10-11H2,1-2H3,(H,24,27)(H4,22,23,25,26)