1-[(4-azanylquinazolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-6-oxidanylidene-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide

Systemtic Name: 1-[(4-azanylquinazolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-6-oxidanylidene-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide Openeye Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide CAS Name: 1-[(4-amino-7-quinazolinyl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-6-oxo-N-[2-(1-pyrrolidinyl)ethyl]-2-piperazinecarboxamide IUPAC Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide Traditional Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-6-keto-N-(2-pyrrolidinoethyl)piperazine-2-carboxamide Formula: C28H30ClN7O4S2 MolecularWeight: 628.1653

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)C2CN(CC(=O)N2CC3=CC4=C(C=C3)C(=NC=N4)N)S(=O)(=O)C5=CC6=C(S5)C=C(C=C6)Cl

Isomeric SMILES

C1CCN(C1)CCNC(=O)C2CN(CC(=O)N2CC3=CC4=C(C=C3)C(=NC=N4)N)S(=O)(=O)C5=CC6=C(S5)C=C(C=C6)Cl

InChI

InChI=1S/C28H30ClN7O4S2/c29-20-5-4-19-12-26(41-24(19)13-20)42(39,40)35-15-23(28(38)31-7-10-34-8-1-2-9-34)36(25(37)16-35)14-18-3-6-21-22(11-18)32-17-33-27(21)30/h3-6,11-13,17,23H,1-2,7-10,14-16H2,(H,31,38)(H2,30,32,33)