2-[2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-amino]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Systemtic Name: 2-[2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-amino]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-amino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[[2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl-ethyl-amino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C21H22ClN5O3S MolecularWeight: 459.94908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)NC3=C(C4=C(S3)CCC4)C(=O)N

Isomeric SMILES

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)NC3=C(C4=C(S3)CCC4)C(=O)N

InChI

InChI=1S/C21H22ClN5O3S/c1-2-27(9-16-24-14-8-11(22)6-7-12(14)20(30)25-16)10-17(28)26-21-18(19(23)29)13-4-3-5-15(13)31-21/h6-8H,2-5,9-10H2,1H3,(H2,23,29)(H,26,28)(H,24,25,30)