2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methylsulfanyl]-6-chloranyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methylsulfanyl]-6-chloranyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 6-chloro-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[(4,6-diamino-s-triazin-2-yl)methylthio]quinazolin-4-one Formula: C15H14ClN7OS MolecularWeight: 375.83596

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NC(=NC(=N3)N)N

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C15H14ClN7OS/c1-2-5-23-12(24)9-6-8(16)3-4-10(9)19-15(23)25-7-11-20-13(17)22-14(18)21-11/h2-4,6H,1,5,7H2,(H4,17,18,20,21,22)