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

Systemtic Name: 2-azanyl-6-methyl-4-(3-nitrophenyl)-3-(3-phenylpropyl)-4H-pyrimidine-5-carboxylic acid Openeye Name: 2-amino-6-methyl-4-(3-nitrophenyl)-3-(3-phenylpropyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 2-amino-6-methyl-4-(3-nitrophenyl)-3-(3-phenylpropyl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-amino-6-methyl-4-(3-nitrophenyl)-3-(3-phenylpropyl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 2-amino-6-methyl-4-(3-nitrophenyl)-3-(3-phenylpropyl)-4H-pyrimidine-5-carboxylic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)N)CCCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)N)CCCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H22N4O4/c1-14-18(20(26)27)19(16-10-5-11-17(13-16)25(28)29)24(21(22)23-14)12-6-9-15-7-3-2-4-8-15/h2-5,7-8,10-11,13,19H,6,9,12H2,1H3,(H2,22,23)(H,26,27)