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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H23N5O4/c1-29-17-9-8-15(12-18(17)30-2)10-11-22-20-19(26(27)28)21(25-14-24-20)23-13-16-6-4-3-5-7-16/h3-9,12,14H,10-11,13H2,1-2H3,(H2,22,23,24,25)