N-[(2E,5Z,7Z)-4,9-dihydro-1H-1,2-diazonin-3-yl]-2-phenylsulfanyl-quinazolin-4-amine

Systemtic Name: N-[(2E,5Z,7Z)-4,9-dihydro-1H-1,2-diazonin-3-yl]-2-phenylsulfanyl-quinazolin-4-amine Openeye Name: N-[(2E,5Z,7Z)-4,9-dihydro-1H-diazonin-3-yl]-2-phenylsulfanyl-quinazolin-4-amine CAS Name: N-[(2E,5Z,7Z)-4,9-dihydro-1H-diazonin-3-yl]-2-(phenylthio)-4-quinazolinamine IUPAC Name: N-[(2E,5Z,7Z)-4,9-dihydro-1H-diazonin-3-yl]-2-phenylsulfanylquinazolin-4-amine Traditional Name: [(2E,5Z,7Z)-4,9-dihydro-1H-diazonin-3-yl]-[2-(phenylthio)quinazolin-4-yl]amine Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CCNN=C1NC2=NC(=NC3=CC=CC=C32)SC4=CC=CC=C4

Isomeric SMILES

C/1/C=C\C=C/CN/N=C1/NC2=NC(=NC3=CC=CC=C32)SC4=CC=CC=C4

InChI

InChI=1S/C21H19N5S/c1-2-9-15-22-26-19(14-6-1)24-20-17-12-7-8-13-18(17)23-21(25-20)27-16-10-4-3-5-11-16/h1-13,22H,14-15H2,(H,23,24,25,26)/b6-1-,9-2-