N-[4,6-bis(azanyl)pyrimidin-5-yl]-4-(3-methylbutyl)benzamide

Systemtic Name: N-[4,6-bis(azanyl)pyrimidin-5-yl]-4-(3-methylbutyl)benzamide Openeye Name: N-(4,6-diaminopyrimidin-5-yl)-4-isopentyl-benzamide CAS Name: N-(4,6-diamino-5-pyrimidinyl)-4-(3-methylbutyl)benzamide IUPAC Name: N-(4,6-diaminopyrimidin-5-yl)-4-(3-methylbutyl)benzamide Traditional Name: N-(4,6-diaminopyrimidin-5-yl)-4-isoamyl-benzamide Formula: C16H21N5O MolecularWeight: 299.37084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=C(C=C1)C(=O)NC2=C(N=CN=C2N)N

Isomeric SMILES

CC(C)CCC1=CC=C(C=C1)C(=O)NC2=C(N=CN=C2N)N

InChI

InChI=1S/C16H21N5O/c1-10(2)3-4-11-5-7-12(8-6-11)16(22)21-13-14(17)19-9-20-15(13)18/h5-10H,3-4H2,1-2H3,(H,21,22)(H4,17,18,19,20)