6-[(4-nitrophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine; sulfuric acid

Systemtic Name: 6-[(4-nitrophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine; sulfuric acid Openeye Name: 6-[(4-nitrophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine; sulfuric acid CAS Name: 6-[(4-nitrophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine; sulfuric acid IUPAC Name: 6-[(4-nitrophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine; sulfuric acid Traditional Name: [2-amino-6-(4-nitrobenzyl)pyrido[2,3-d]pyrimidin-4-yl]amine; sulfuric acid Formula: C28H26N12O8S MolecularWeight: 690.64664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CN=C3C(=C2)C(=NC(=N3)N)N)[N+](=O)[O-].C1=CC(=CC=C1CC2=CN=C3C(=C2)C(=NC(=N3)N)N)[N+](=O)[O-].OS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CN=C3C(=C2)C(=NC(=N3)N)N)[N+](=O)[O-].C1=CC(=CC=C1CC2=CN=C3C(=C2)C(=NC(=N3)N)N)[N+](=O)[O-].OS(=O)(=O)O

InChI

InChI=1S/2C14H12N6O2.H2O4S/c2*15-12-11-6-9(7-17-13(11)19-14(16)18-12)5-8-1-3-10(4-2-8)20(21)22;1-5(2,3)4/h2*1-4,6-7H,5H2,(H4,15,16,17,18,19);(H2,1,2,3,4)