2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-cyclopentyl-quinazolin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-cyclopentyl-quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-cyclopentyl-quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-3-cyclopentyl-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-cyclopentylquinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-3-cyclopentyl-quinazolin-4-one Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C22H21N5OS/c23-20-15-9-3-5-11-17(15)24-19(26-20)13-29-22-25-18-12-6-4-10-16(18)21(28)27(22)14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8,13H2,(H2,23,24,26)