sodium; 2-methyl-5H-cyclohepta[d]pyrimidin-4-amine; phenylbenzene

Systemtic Name: sodium; 2-methyl-5H-cyclohepta[d]pyrimidin-4-amine; phenylbenzene Openeye Name: sodium; 2-methyl-5H-cyclohepta[d]pyrimidin-4-amine; phenylbenzene CAS Name: sodium; 2-methyl-5H-cyclohepta[d]pyrimidin-4-amine; phenylbenzene IUPAC Name: sodium; 2-methyl-5H-cyclohepta[d]pyrimidin-4-amine; phenylbenzene Traditional Name: sodium; (2-methyl-5H-cyclohepta[d]pyrimidin-4-yl)amine; phenylbenzene Formula: C22H20N3Na MolecularWeight: 349.40407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(CC=CC=C2)C(=N1)N.C1=CC=C(C=C1)C2=CC=[C-]C=C2.[Na+]

Isomeric SMILES

CC1=NC2=C(CC=CC=C2)C(=N1)N.C1=CC=C(C=C1)C2=CC=[C-]C=C2.[Na+]

InChI

InChI=1S/C12H9.C10H11N3.Na/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-12-9-6-4-2-3-5-8(9)10(11)13-7;/h1,3-10H;2-4,6H,5H2,1H3,(H2,11,12,13);/q-1;;+1