N4-(5-methyl-1,2-oxazol-3-yl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine

Systemtic Name: N4-(5-methyl-1,2-oxazol-3-yl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-4,5-diamine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N4-(5-methylisoxazol-3-yl)pyrimidine-4,5-diamine CAS Name: N4-(5-methyl-3-isoxazolyl)-6-[4-(phenylmethyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-benzylpiperazino)pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C19H23N7O MolecularWeight: 365.43222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H23N7O/c1-14-11-16(24-27-14)23-18-17(20)19(22-13-21-18)26-9-7-25(8-10-26)12-15-5-3-2-4-6-15/h2-6,11,13H,7-10,12,20H2,1H3,(H,21,22,23,24)