N4-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine

Systemtic Name: N4-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine Openeye Name: N4-(5-methylisoxazol-3-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine CAS Name: N4-(5-methyl-3-isoxazolyl)-6-(4-phenyl-1-piperazinyl)pyrimidine-4,5-diamine IUPAC Name: 4-N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-phenylpiperazino)pyrimidin-4-yl]-(5-methylisoxazol-3-yl)amine Formula: C18H21N7O MolecularWeight: 351.40564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7O/c1-13-11-15(23-26-13)22-17-16(19)18(21-12-20-17)25-9-7-24(8-10-25)14-5-3-2-4-6-14/h2-6,11-12H,7-10,19H2,1H3,(H,20,21,22,23)