6-azanyl-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]-1H-pyrimidin-4-one Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=O)C=C(N3)N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=O)C=C(N3)N)C

InChI

InChI=1S/C16H15N3O3S/c1-8-3-4-11-10(5-14(21)22-15(11)9(8)2)7-23-16-18-12(17)6-13(20)19-16/h3-6H,7H2,1-2H3,(H3,17,18,19,20)