4-[(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]methyl]-7-methyl-coumarin Formula: C17H13N3O2S2 MolecularWeight: 355.43402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C4C=CSC4=N3)N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C4C=CSC4=N3)N

InChI

InChI=1S/C17H13N3O2S2/c1-9-2-3-11-10(7-14(21)22-13(11)6-9)8-24-17-19-15(18)12-4-5-23-16(12)20-17/h2-7H,8H2,1H3,(H2,18,19,20)