sodium; (5Z,7Z,9Z)-2-methylcycloocta[d]pyrimidin-4-amine; phenylbenzene

Systemtic Name: sodium; (5Z,7Z,9Z)-2-methylcycloocta[d]pyrimidin-4-amine; phenylbenzene Openeye Name: sodium; (5Z,7Z,9Z)-2-methylcycloocta[d]pyrimidin-4-amine; phenylbenzene CAS Name: sodium; (5Z,7Z,9Z)-2-methyl-4-cycloocta[d]pyrimidinamine; phenylbenzene IUPAC Name: sodium; (5Z,7Z,9Z)-2-methylcycloocta[d]pyrimidin-4-amine; phenylbenzene Traditional Name: sodium; [(5Z,7Z,9Z)-2-methylcycloocta[d]pyrimidin-4-yl]amine; phenylbenzene Formula: C23H20N3Na MolecularWeight: 361.41477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC/2=C(/C=C\C=C/C=C2)C(=N1)N.C1=CC=C(C=C1)C2=CC=[C-]C=C2.[Na+]

InChI

InChI=1S/C12H9.C11H11N3.Na/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-8-13-10-7-5-3-2-4-6-9(10)11(12)14-8;/h1,3-10H;2-7H,1H3,(H2,12,13,14);/q-1;;+1