2-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinazolin-4-olate

Systemtic Name: 2-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydroquinazolin-4-olate Openeye Name: 2-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydroquinazolin-4-olate CAS Name: 2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thio]-5,6,7,8-tetrahydroquinazolin-4-olate IUPAC Name: 2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinazolin-4-olate Traditional Name: 2-[[2-keto-2-(m-anisylamino)ethyl]thio]-5,6,7,8-tetrahydroquinazolin-4-olate Formula: C18H20N3O3S- MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CSC2=NC3=C(CCCC3)C(=N2)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CSC2=NC3=C(CCCC3)C(=N2)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-24-13-6-4-5-12(9-13)10-19-16(22)11-25-18-20-15-8-3-2-7-14(15)17(23)21-18/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,19,22)(H,20,21,23)/p-1