4-azanyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(2-methyl-3-nitrophenyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(2-methyl-3-nitrophenyl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(2-methyl-3-nitro-benzyl)thio]pyrimidine-5-carbonitrile Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C13H11N5O2S/c1-8-9(3-2-4-11(8)18(19)20)7-21-13-16-6-10(5-14)12(15)17-13/h2-4,6H,7H2,1H3,(H2,15,16,17)