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N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-3-sulfanyl-propanamide

N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-3-sulfanyl-propanamide

Systemtic Name:N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-3-sulfanyl-propanamide
Openeye Name:N-[4-(3-bromoanilino)quinazolin-6-yl]-3-sulfanyl-propanamide
CAS Name:N-[4-(3-bromoanilino)-6-quinazolinyl]-3-mercaptopropanamide
IUPAC Name:N-[4-(3-bromoanilino)quinazolin-6-yl]-3-sulfanylpropanamide
Traditional Name:N-[4-(3-bromoanilino)quinazolin-6-yl]-3-mercapto-propionamide
Formula: C17H15BrN4OS
MolecularWeight: 403.2962
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CCS


Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CCS


InChI

InChI=1S/C17H15BrN4OS/c18-11-2-1-3-12(8-11)22-17-14-9-13(21-16(23)6-7-24)4-5-15(14)19-10-20-17/h1-5,8-10,24H,6-7H2,(H,21,23)(H,19,20,22)


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