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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)NCC3CCCO3)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)NCC3CCCO3)N)Cl

InChI

InChI=1S/C16H20ClN5O/c1-10-4-5-11(7-13(10)17)22-16-14(18)15(20-9-21-16)19-8-12-3-2-6-23-12/h4-5,7,9,12H,2-3,6,8,18H2,1H3,(H2,19,20,21,22)