2-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-7-chloranyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-7-chloranyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-7-chloro-quinazolin-4-one CAS Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylthio]-7-chloro-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-7-chloro-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methylthio]-7-chloro-quinazolin-4-one Formula: C17H18ClN7OS MolecularWeight: 403.88912

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C17H18ClN7OS/c1-4-7-25-14(26)11-6-5-10(18)8-12(11)20-17(25)27-9-13-21-15(19)23-16(22-13)24(2)3/h4-6,8H,1,7,9H2,2-3H3,(H2,19,21,22,23)