5-phenylpyrimido[4,5-d]pyrimidine-2,4,7-triamine; phosphoric acid

Systemtic Name: 5-phenylpyrimido[4,5-d]pyrimidine-2,4,7-triamine; phosphoric acid Openeye Name: 5-phenylpyrimido[4,5-d]pyrimidine-2,4,7-triamine; phosphoric acid CAS Name: 5-phenylpyrimido[4,5-d]pyrimidine-2,4,7-triamine; phosphoric acid IUPAC Name: 5-phenylpyrimido[4,5-d]pyrimidine-2,4,7-triamine; phosphoric acid Traditional Name: (2,4-diamino-5-phenyl-pyrimido[4,5-d]pyrimidin-7-yl)amine; phosphoric acid Formula: C12H14N7O4P MolecularWeight: 351.257821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=NC(=NC3=NC(=N2)N)N)N.OP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=NC(=NC3=NC(=N2)N)N)N.OP(=O)(O)O

InChI

InChI=1S/C12H11N7.H3O4P/c13-9-7-8(6-4-2-1-3-5-6)16-11(14)18-10(7)19-12(15)17-9;1-5(2,3)4/h1-5H,(H6,13,14,15,16,17,18,19);(H3,1,2,3,4)