1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione

Systemtic Name: 1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-4-(5-methyl-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-4-(5-methyl-2-thienyl)butane-1,4-dione Formula: C22H25N5O2S MolecularWeight: 423.5312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H25N5O2S/c1-15-6-8-19(30-15)18(28)7-9-21(29)27-12-10-26(11-13-27)14-20-24-17-5-3-2-4-16(17)22(23)25-20/h2-6,8H,7,9-14H2,1H3,(H2,23,24,25)