N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-methoxyphenyl)methyl]-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(p-anisylamino)pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4/c1-25-13-6-4-12(5-7-13)9-18-16-15(22(23)24)17(21-11-20-16)19-10-14-3-2-8-26-14/h4-7,11,14H,2-3,8-10H2,1H3,(H2,18,19,20,21)