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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC2=CC=C(C=C2)C3=C(N=C(N=C3N)N)C

InChI

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