1-[(4-azanylquinazolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)methyl]piperazine-2,3-dione

Systemtic Name: 1-[(4-azanylquinazolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)methyl]piperazine-2,3-dione Openeye Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chlorobenzothiophen-2-yl)methyl]piperazine-2,3-dione CAS Name: 1-[(4-amino-7-quinazolinyl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)methyl]piperazine-2,3-dione IUPAC Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)methyl]piperazine-2,3-dione Traditional Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chlorobenzothiophen-2-yl)methyl]piperazine-2,3-quinone Formula: C22H18ClN5O2S MolecularWeight: 451.92862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CC2=CC3=C(C=C2)C(=NC=N3)N)CC4=CC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

C1CN(C(=O)C(=O)N1CC2=CC3=C(C=C2)C(=NC=N3)N)CC4=CC5=C(S4)C=C(C=C5)Cl

InChI

InChI=1S/C22H18ClN5O2S/c23-15-3-2-14-8-16(31-19(14)9-15)11-28-6-5-27(21(29)22(28)30)10-13-1-4-17-18(7-13)25-12-26-20(17)24/h1-4,7-9,12H,5-6,10-11H2,(H2,24,25,26)