5-chloranyl-2-methylsulfanyl-N-(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C17H14ClN5O2S MolecularWeight: 387.84336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC3=C(C=C2)N=C4CCCN4C3=O)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC3=C(C=C2)N=C4CCCN4C3=O)Cl

InChI

InChI=1S/C17H14ClN5O2S/c1-26-17-19-8-11(18)14(22-17)15(24)20-9-4-5-12-10(7-9)16(25)23-6-2-3-13(23)21-12/h4-5,7-8H,2-3,6H2,1H3,(H,20,24)