5-methyl-2-(7H-purin-6-ylsulfanylmethyl)-3,1-benzoxazin-4-one

Systemtic Name: 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)-3,1-benzoxazin-4-one Openeye Name: 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)-3,1-benzoxazin-4-one CAS Name: 5-methyl-2-[(7H-purin-6-ylthio)methyl]-3,1-benzoxazin-4-one IUPAC Name: 5-methyl-2-(7H-purin-6-ylsulfanylmethyl)-3,1-benzoxazin-4-one Traditional Name: 5-methyl-2-[(7H-purin-6-ylthio)methyl]-3,1-benzoxazin-4-one Formula: C15H11N5O2S MolecularWeight: 325.34514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C15H11N5O2S/c1-8-3-2-4-9-11(8)15(21)22-10(20-9)5-23-14-12-13(17-6-16-12)18-7-19-14/h2-4,6-7H,5H2,1H3,(H,16,17,18,19)