6-(4-chlorophenyl)sulfanyl-5-nitro-N-prop-2-enyl-pyrimidin-4-amine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-5-nitro-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amine Formula: C13H11ClN4O2S MolecularWeight: 322.77004

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H11ClN4O2S/c1-2-7-15-12-11(18(19)20)13(17-8-16-12)21-10-5-3-9(14)4-6-10/h2-6,8H,1,7H2,(H,15,16,17)