4-phenyl-1,4,5,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,5,6-triamine

Systemtic Name: 4-phenyl-1,4,5,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,5,6-triamine Openeye Name: 4-phenyl-1,4,5,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,5,6-triamine CAS Name: 4-phenyl-1,4,5,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,5,6-triamine IUPAC Name: 4-phenyl-1,4,5,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,5,6-triamine Traditional Name: (2,5-diamino-4-phenyl-1,4,5,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-6-yl)amine Formula: C12H16N7+ MolecularWeight: 258.30234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3=C(NC=[N+](C3N)N)NC(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)C2C3=C(NC=[N+](C3N)N)NC(=N2)N

InChI

InChI=1S/C12H15N7/c13-10-8-9(7-4-2-1-3-5-7)17-12(14)18-11(8)16-6-19(10)15/h1-6,9-10H,13,15H2,(H3,14,17,18)/p+1