1-[(6-chloranylpyridin-3-yl)methyl]-3-dodecyl-N-methyl-5-nitro-2,4-dihydropyrimidin-6-amine

Systemtic Name: 1-[(6-chloranylpyridin-3-yl)methyl]-3-dodecyl-N-methyl-5-nitro-2,4-dihydropyrimidin-6-amine Openeye Name: 1-[(6-chloro-3-pyridyl)methyl]-3-dodecyl-N-methyl-5-nitro-2,4-dihydropyrimidin-6-amine CAS Name: 1-[(6-chloro-3-pyridinyl)methyl]-3-dodecyl-N-methyl-5-nitro-2,4-dihydropyrimidin-6-amine IUPAC Name: 1-[(6-chloropyridin-3-yl)methyl]-3-dodecyl-N-methyl-5-nitro-2,4-dihydropyrimidin-6-amine Traditional Name: [1-[(6-chloro-3-pyridyl)methyl]-3-lauryl-5-nitro-2,4-dihydropyrimidin-6-yl]-methyl-amine Formula: C23H38ClN5O2 MolecularWeight: 452.03312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1CC(=C(N(C1)CC2=CN=C(C=C2)Cl)NC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCN1CC(=C(N(C1)CC2=CN=C(C=C2)Cl)NC)[N+](=O)[O-]

InChI

InChI=1S/C23H38ClN5O2/c1-3-4-5-6-7-8-9-10-11-12-15-27-18-21(29(30)31)23(25-2)28(19-27)17-20-13-14-22(24)26-16-20/h13-14,16,25H,3-12,15,17-19H2,1-2H3