1-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[6,1-b]quinazolin-11-ium-10-one

Systemtic Name: 1-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[6,1-b]quinazolin-11-ium-10-one Openeye Name: 1-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[6,1-b]quinazolin-11-ium-10-one CAS Name: 1-[(2,4-dichlorophenyl)methylthio]-3-methyl-5H-pyrimido[6,1-b]quinazolin-11-ium-10-one IUPAC Name: 1-[(2,4-dichlorophenyl)methylsulfanyl]-3-methyl-5H-pyrimido[6,1-b]quinazolin-11-ium-10-one Traditional Name: 1-[(2,4-dichlorobenzyl)thio]-3-methyl-5H-pyrimido[6,1-b]quinazolin-11-ium-10-one Formula: C19H14Cl2N3OS+ MolecularWeight: 403.30496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C(=O)C3=CC=CC=C3N2)C(=N1)SCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC2=[N+](C(=O)C3=CC=CC=C3N2)C(=N1)SCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H13Cl2N3OS/c1-11-8-17-23-16-5-3-2-4-14(16)18(25)24(17)19(22-11)26-10-12-6-7-13(20)9-15(12)21/h2-9H,10H2,1H3/p+1