[4-(2-azanyl-4-oxidanylidene-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)phenyl]arsonic acid

Systemtic Name: [4-(2-azanyl-4-oxidanylidene-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)phenyl]arsonic acid Openeye Name: [4-(2-amino-4-oxo-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)phenyl]arsonic acid CAS Name: [4-(2-amino-4-oxo-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)phenyl]arsonic acid IUPAC Name: [4-(2-amino-4-oxo-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)phenyl]arsonic acid Traditional Name: [4-(2-amino-4-keto-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)phenyl]arsonic acid Formula: C12H14AsN5O4 MolecularWeight: 367.19226

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NCN1C3=CC=C(C=C3)[As](=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1C2=C(NCN1C3=CC=C(C=C3)[As](=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C12H14AsN5O4/c14-12-16-10-9(11(19)17-12)5-18(6-15-10)8-3-1-7(2-4-8)13(20,21)22/h1-4H,5-6H2,(H2,20,21,22)(H4,14,15,16,17,19)