N4-(3-chloranyl-2-methyl-phenyl)-N6-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(3-chloranyl-2-methyl-phenyl)-N6-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(3-chloro-2-methyl-phenyl)-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(3-chloro-2-methylphenyl)-N6-(2-oxolanylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(3-chloro-2-methylphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-chloro-2-methyl-anilino)pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C16H20ClN5O MolecularWeight: 333.8159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C(C(=NC=N2)NCC3CCCO3)N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C(C(=NC=N2)NCC3CCCO3)N

InChI

InChI=1S/C16H20ClN5O/c1-10-12(17)5-2-6-13(10)22-16-14(18)15(20-9-21-16)19-8-11-4-3-7-23-11/h2,5-6,9,11H,3-4,7-8,18H2,1H3,(H2,19,20,21,22)