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

Systemtic Name: 1-[(4-azanylquinazolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide Openeye Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide CAS Name: 1-[(4-amino-7-quinazolinyl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-N-[2-(1-pyrrolidinyl)ethyl]-2-piperazinecarboxamide IUPAC Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-N-(2-pyrrolidin-1-ylethyl)piperazine-2-carboxamide Traditional Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-N-(2-pyrrolidinoethyl)piperazine-2-carboxamide Formula: C28H32ClN7O3S2 MolecularWeight: 614.18178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)C2CN(CCN2CC3=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(CCN2CC3=CC4=C(C=C3)C(=NC=N4)N)S(=O)(=O)C5=CC6=C(S5)C=C(C=C6)Cl

InChI

InChI=1S/C28H32ClN7O3S2/c29-21-5-4-20-14-26(40-25(20)15-21)41(38,39)36-12-11-35(16-19-3-6-22-23(13-19)32-18-33-27(22)30)24(17-36)28(37)31-7-10-34-8-1-2-9-34/h3-6,13-15,18,24H,1-2,7-12,16-17H2,(H,31,37)(H2,30,32,33)