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

Systemtic Name: N4-(3,4-dimethylphenyl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(3,4-dimethylphenyl)-5-nitro-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(3,4-dimethylphenyl)-5-nitro-N6-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [6-(3,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N5O3/c1-11-5-6-13(8-12(11)2)21-17-15(22(23)24)16(19-10-20-17)18-9-14-4-3-7-25-14/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H2,18,19,20,21)