N2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitroso-pyrimidine-2,4,6-triamine

Systemtic Name: N2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitroso-pyrimidine-2,4,6-triamine Openeye Name: N2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitroso-pyrimidine-2,4,6-triamine CAS Name: N2-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitrosopyrimidine-2,4,6-triamine IUPAC Name: 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitrosopyrimidine-2,4,6-triamine Traditional Name: (4,6-diamino-5-nitroso-pyrimidin-2-yl)-homoveratryl-amine Formula: C14H18N6O3 MolecularWeight: 318.33112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC(=C(C(=N2)N)N=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC(=C(C(=N2)N)N=O)N)OC

InChI

InChI=1S/C14H18N6O3/c1-22-9-4-3-8(7-10(9)23-2)5-6-17-14-18-12(15)11(20-21)13(16)19-14/h3-4,7H,5-6H2,1-2H3,(H5,15,16,17,18,19)