2-azanyl-6-methyl-3-[methyl-(phenylmethyl)carbamoyl]-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-azanyl-6-methyl-3-[methyl-(phenylmethyl)carbamoyl]-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Openeye Name: 2-amino-3-[benzyl(methyl)carbamoyl]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 2-amino-6-methyl-3-[[methyl-(phenylmethyl)amino]-oxomethyl]-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-amino-3-[benzyl(methyl)carbamoyl]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 2-amino-3-[benzyl(methyl)carbamoyl]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)N)C(=O)N(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)N)C(=O)N(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H21N5O5/c1-13-17(19(27)28)18(15-9-6-10-16(11-15)26(30)31)25(20(22)23-13)21(29)24(2)12-14-7-4-3-5-8-14/h3-11,18H,12H2,1-2H3,(H2,22,23)(H,27,28)