N-[bis(4-methoxyphenyl)methyl]-6-methyl-2-methylsulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[bis(4-methoxyphenyl)methyl]-6-methyl-2-methylsulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-[bis(4-methoxyphenyl)methyl]-6-methyl-2-methylsulfanyl-5-nitro-pyrimidin-4-amine CAS Name: N-[bis(4-methoxyphenyl)methyl]-6-methyl-2-(methylthio)-5-nitro-4-pyrimidinamine IUPAC Name: N-[bis(4-methoxyphenyl)methyl]-6-methyl-2-methylsulfanyl-5-nitropyrimidin-4-amine Traditional Name: bis(4-methoxyphenyl)methyl-[6-methyl-2-(methylthio)-5-nitro-pyrimidin-4-yl]amine Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)NC(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)NC(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-13-19(25(26)27)20(24-21(22-13)30-4)23-18(14-5-9-16(28-2)10-6-14)15-7-11-17(29-3)12-8-15/h5-12,18H,1-4H3,(H,22,23,24)