N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: homoveratryl-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]amine Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3CCCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3CCCO3)OC

InChI

InChI=1S/C19H25N5O5/c1-27-15-6-5-13(10-16(15)28-2)7-8-20-18-17(24(25)26)19(23-12-22-18)21-11-14-4-3-9-29-14/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3,(H2,20,21,22,23)