5-methyl-2-[7H-purin-6-yl(sulfanyl)methyl]-3,1-benzoxazin-4-one

Systemtic Name: 5-methyl-2-[7H-purin-6-yl(sulfanyl)methyl]-3,1-benzoxazin-4-one Openeye Name: 5-methyl-2-[7H-purin-6-yl(sulfanyl)methyl]-3,1-benzoxazin-4-one CAS Name: 2-[mercapto(7H-purin-6-yl)methyl]-5-methyl-3,1-benzoxazin-4-one IUPAC Name: 5-methyl-2-[7H-purin-6-yl(sulfanyl)methyl]-3,1-benzoxazin-4-one Traditional Name: 2-[mercapto(7H-purin-6-yl)methyl]-5-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)C(C3=C4C(=NC=N3)N=CN4)S

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)C(C3=C4C(=NC=N3)N=CN4)S

InChI

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