2-azanyl-6-methyl-4-(3-nitrophenyl)-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-azanyl-6-methyl-4-(3-nitrophenyl)-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid Openeye Name: 3-allyl-2-amino-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 2-amino-6-methyl-4-(3-nitrophenyl)-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-amino-6-methyl-4-(3-nitrophenyl)-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid Traditional Name: 3-allyl-2-amino-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Formula: C15H16N4O4 MolecularWeight: 316.31194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)N)CC=C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)N)CC=C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H16N4O4/c1-3-7-18-13(10-5-4-6-11(8-10)19(22)23)12(14(20)21)9(2)17-15(18)16/h3-6,8,13H,1,7H2,2H3,(H2,16,17)(H,20,21)