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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: homoveratryl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N4O4S/c1-14-4-7-16(8-5-14)30-21-19(25(26)27)20(23-13-24-21)22-11-10-15-6-9-17(28-2)18(12-15)29-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,23,24)