2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-3-(2-furylmethyl)quinazolin-4-one CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-3-(2-furanylmethyl)-4-quinazolinone IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-3-(2-furfuryl)quinazolin-4-one Formula: C23H19N7O2S MolecularWeight: 457.50766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

InChI

InChI=1S/C23H19N7O2S/c24-21-27-19(28-22(29-21)25-15-7-2-1-3-8-15)14-33-23-26-18-11-5-4-10-17(18)20(31)30(23)13-16-9-6-12-32-16/h1-12H,13-14H2,(H3,24,25,27,28,29)