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

Systemtic Name: 1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-4-(2-thienyl)butane-1,4-dione Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N5O2S/c22-21-15-4-1-2-5-16(15)23-19(24-21)14-25-9-11-26(12-10-25)20(28)8-7-17(27)18-6-3-13-29-18/h1-6,13H,7-12,14H2,(H2,22,23,24)