4-[(2-azanyl-5H-purin-6-yl)sulfanylmethyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[(2-azanyl-5H-purin-6-yl)sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(2-amino-5H-purin-6-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(2-amino-5H-purin-6-yl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(2-amino-5H-purin-6-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(2-amino-5H-purin-6-yl)thio]methyl]-7-methoxy-coumarin Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=NC4=NC=NC43)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=NC4=NC=NC43)N

InChI

InChI=1S/C16H13N5O3S/c1-23-9-2-3-10-8(4-12(22)24-11(10)5-9)6-25-15-13-14(19-7-18-13)20-16(17)21-15/h2-5,7,13H,6H2,1H3,(H2,17,18,19,20)