[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-[4-[(methylthio)methyl]phenyl]methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-[4-[(methylthio)methyl]phenyl]methanone Formula: C22H25N5OS MolecularWeight: 407.5318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H25N5OS/c1-29-15-16-6-8-17(9-7-16)22(28)27-12-10-26(11-13-27)14-20-24-19-5-3-2-4-18(19)21(23)25-20/h2-9H,10-15H2,1H3,(H2,23,24,25)