3-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]propyl carbamimidothioate

Systemtic Name: 3-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]propyl carbamimidothioate Openeye Name: 2-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]isothiourea CAS Name: carbamimidothioic acid 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl ester IUPAC Name: 3-(2,4-dioxo-1H-quinazolin-3-yl)propyl carbamimidothioate Traditional Name: 2-[3-(2,4-diketo-1H-quinazolin-3-yl)propyl]isothiourea Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CCCSC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CCCSC(=N)N

InChI

InChI=1S/C12H14N4O2S/c13-11(14)19-7-3-6-16-10(17)8-4-1-2-5-9(8)15-12(16)18/h1-2,4-5H,3,6-7H2,(H3,13,14)(H,15,18)