3-[(pyridin-2-ylamino)methylamino]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(pyridin-2-ylamino)methylamino]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(2-pyridylamino)methylamino]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(2-pyridinylamino)methylamino]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(pyridin-2-ylamino)methylamino]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(2-pyridylamino)methylamino]-2-thioxo-1H-quinazolin-4-one Formula: C14H13N5OS MolecularWeight: 299.35092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NCNC3=CC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NCNC3=CC=CC=N3

InChI

InChI=1S/C14H13N5OS/c20-13-10-5-1-2-6-11(10)18-14(21)19(13)17-9-16-12-7-3-4-8-15-12/h1-8,17H,9H2,(H,15,16)(H,18,21)