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

Systemtic Name: N4-(3-chloranyl-2-methyl-phenyl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(3-chloro-2-methyl-phenyl)-5-nitro-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-2-methylphenyl)-5-nitro-N6-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-2-methylphenyl)-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [6-(3-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C16H18ClN5O3 MolecularWeight: 363.79882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN5O3/c1-10-12(17)5-2-6-13(10)21-16-14(22(23)24)15(19-9-20-16)18-8-11-4-3-7-25-11/h2,5-6,9,11H,3-4,7-8H2,1H3,(H2,18,19,20,21)