N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-[(4-methoxyphenyl)methyl]-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-p-anisyl-amine Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H18N4O3S/c1-13-3-9-16(10-4-13)27-19-17(23(24)25)18(21-12-22-19)20-11-14-5-7-15(26-2)8-6-14/h3-10,12H,11H2,1-2H3,(H,20,21,22)