3-[(2,4-dinitrophenyl)amino]-4,6,6-trimethyl-1H-pyrimidine-2-thione

Systemtic Name: 3-[(2,4-dinitrophenyl)amino]-4,6,6-trimethyl-1H-pyrimidine-2-thione Openeye Name: 3-(2,4-dinitroanilino)-4,6,6-trimethyl-1H-pyrimidine-2-thione CAS Name: 3-(2,4-dinitroanilino)-4,6,6-trimethyl-1H-pyrimidine-2-thione IUPAC Name: 3-(2,4-dinitroanilino)-4,6,6-trimethyl-1H-pyrimidine-2-thione Traditional Name: 3-(2,4-dinitroanilino)-4,6,6-trimethyl-1H-pyrimidine-2-thione Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC(=S)N1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])(C)C

Isomeric SMILES

CC1=CC(NC(=S)N1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])(C)C

InChI

InChI=1S/C13H15N5O4S/c1-8-7-13(2,3)14-12(23)16(8)15-10-5-4-9(17(19)20)6-11(10)18(21)22/h4-7,15H,1-3H3,(H,14,23)