5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one; yttrium(3+)

Systemtic Name: 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one; yttrium(3+) Openeye Name: 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one; yttrium(3+) CAS Name: 5-methyl-2-[(7H-purin-6-ylthio)methyl]-4-quinazolin-3-idone; yttrium(3+) IUPAC Name: 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-3-id-4-one; yttrium(3+) Traditional Name: 5-methyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-3-id-4-one; yttrium(3+) Formula: C15H11N6OSY+2 MolecularWeight: 412.25829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C([N-]C2=O)CSC3=NC=NC4=C3NC=N4.[Y+3]

Isomeric SMILES

CC1=C2C(=CC=C1)N=C([N-]C2=O)CSC3=NC=NC4=C3NC=N4.[Y+3]

InChI

InChI=1S/C15H12N6OS.Y/c1-8-3-2-4-9-11(8)14(22)21-10(20-9)5-23-15-12-13(17-6-16-12)18-7-19-15;/h2-4,6-7H,5H2,1H3,(H2,16,17,18,19,20,21,22);/q;+3/p-1