6-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidin-4-amine Traditional Name: (6-chloro-5-nitro-pyrimidin-4-yl)-homoveratryl-amine Formula: C14H15ClN4O4 MolecularWeight: 338.7463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C14H15ClN4O4/c1-22-10-4-3-9(7-11(10)23-2)5-6-16-14-12(19(20)21)13(15)17-8-18-14/h3-4,7-8H,5-6H2,1-2H3,(H,16,17,18)