2-[[4-azanyl-6-(butylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methyl-quinazolin-4-one

Systemtic Name: 2-[[4-azanyl-6-(butylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methyl-quinazolin-4-one Openeye Name: 2-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methyl-quinazolin-4-one CAS Name: 2-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]methylthio]-3-methyl-4-quinazolinone IUPAC Name: 2-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-3-methylquinazolin-4-one Traditional Name: 2-[[4-amino-6-(butylamino)-s-triazin-2-yl]methylthio]-3-methyl-quinazolin-4-one Formula: C17H21N7OS MolecularWeight: 371.45994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=N1)N)CSC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CCCCNC1=NC(=NC(=N1)N)CSC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C17H21N7OS/c1-3-4-9-19-16-22-13(21-15(18)23-16)10-26-17-20-12-8-6-5-7-11(12)14(25)24(17)2/h5-8H,3-4,9-10H2,1-2H3,(H3,18,19,21,22,23)