N4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(4,5-dimethylthiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4,5-dimethyl-2-thiazolyl)-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C12H14N6O2S MolecularWeight: 306.34356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NCC=C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NCC=C)[N+](=O)[O-])C

InChI

InChI=1S/C12H14N6O2S/c1-4-5-13-10-9(18(19)20)11(15-6-14-10)17-12-16-7(2)8(3)21-12/h4,6H,1,5H2,2-3H3,(H2,13,14,15,16,17)