2-[(7-ethanoylazaniumylidene-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(7-ethanoylazaniumylidene-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(7-acetyliminio-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(7-acetyliminio-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-4-yl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(7-acetylazaniumylidene-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(7-acetyliminio-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=C3CCC(=[NH+]C(=O)C)CC3OC(=C2)O)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=C3CCC(=[NH+]C(=O)C)CC3OC(=C2)O)[O-]

InChI

InChI=1S/C19H23N3O4S/c1-3-4-13-9-17(24)22-19(21-13)27-10-12-7-18(25)26-16-8-14(20-11(2)23)5-6-15(12)16/h7,9,16,25H,3-6,8,10H2,1-2H3,(H,21,22,24)