4-[2,4-bis(azanyl)quinazolin-5-yl]sulfanylbenzenecarbonitrile

Systemtic Name: 4-[2,4-bis(azanyl)quinazolin-5-yl]sulfanylbenzenecarbonitrile Openeye Name: 4-(2,4-diaminoquinazolin-5-yl)sulfanylbenzonitrile CAS Name: 4-[(2,4-diamino-5-quinazolinyl)thio]benzonitrile IUPAC Name: 4-(2,4-diaminoquinazolin-5-yl)sulfanylbenzonitrile Traditional Name: 4-[(2,4-diaminoquinazolin-5-yl)thio]benzonitrile Formula: C15H11N5S MolecularWeight: 293.34634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=CC=C(C=C3)C#N)C(=NC(=N2)N)N

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=CC=C(C=C3)C#N)C(=NC(=N2)N)N

InChI

InChI=1S/C15H11N5S/c16-8-9-4-6-10(7-5-9)21-12-3-1-2-11-13(12)14(17)20-15(18)19-11/h1-7H,(H4,17,18,19,20)