6-azanyl-2-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylthio]-1H-pyrimidin-4-one Formula: C18H19N3O3S MolecularWeight: 357.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=O)C=C(N3)N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=O)C=C(N3)N)C(C)C

InChI

InChI=1S/C18H19N3O3S/c1-9(2)12-6-13-11(5-17(23)24-14(13)4-10(12)3)8-25-18-20-15(19)7-16(22)21-18/h4-7,9H,8H2,1-3H3,(H3,19,20,21,22)