6-[heptyl-(phenylmethyl)amino]-2-methyl-5-nitro-1H-pyrimidine-4-thione

Systemtic Name: 6-[heptyl-(phenylmethyl)amino]-2-methyl-5-nitro-1H-pyrimidine-4-thione Openeye Name: 6-[benzyl(heptyl)amino]-2-methyl-5-nitro-1H-pyrimidine-4-thione CAS Name: 6-[heptyl-(phenylmethyl)amino]-2-methyl-5-nitro-1H-pyrimidine-4-thione IUPAC Name: 6-[benzyl(heptyl)amino]-2-methyl-5-nitro-1H-pyrimidine-4-thione Traditional Name: 6-[benzyl(heptyl)amino]-2-methyl-5-nitro-1H-pyrimidine-4-thione Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=CC=C1)C2=C(C(=S)N=C(N2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCN(CC1=CC=CC=C1)C2=C(C(=S)N=C(N2)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O2S/c1-3-4-5-6-10-13-22(14-16-11-8-7-9-12-16)18-17(23(24)25)19(26)21-15(2)20-18/h7-9,11-12H,3-6,10,13-14H2,1-2H3,(H,20,21,26)