N-[4-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-amino]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl-ethyl-amino]-4-keto-butyl]thiophene-3-carboxamide Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C20H21ClN4O3S/c1-2-25(18(26)4-3-8-22-19(27)13-7-9-29-12-13)11-17-23-16-10-14(21)5-6-15(16)20(28)24-17/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,22,27)(H,23,24,28)