6-methylsulfanyl-N-(phenylmethyl)-2-pyridin-3-yl-quinazolin-4-amine; [4-[(phenylmethyl)amino]-2-pyridin-3-yl-quinazolin-6-yl]methanol

Systemtic Name: 6-methylsulfanyl-N-(phenylmethyl)-2-pyridin-3-yl-quinazolin-4-amine; [4-[(phenylmethyl)amino]-2-pyridin-3-yl-quinazolin-6-yl]methanol Openeye Name: [4-(benzylamino)-2-(3-pyridyl)quinazolin-6-yl]methanol; N-benzyl-6-methylsulfanyl-2-(3-pyridyl)quinazolin-4-amine CAS Name: 6-(methylthio)-N-(phenylmethyl)-2-(3-pyridinyl)-4-quinazolinamine; [4-[(phenylmethyl)amino]-2-(3-pyridinyl)-6-quinazolinyl]methanol IUPAC Name: [4-(benzylamino)-2-pyridin-3-ylquinazolin-6-yl]methanol; N-benzyl-6-methylsulfanyl-2-pyridin-3-ylquinazolin-4-amine Traditional Name: [4-(benzylamino)-2-(3-pyridyl)quinazolin-6-yl]methanol; benzyl-[6-(methylthio)-2-(3-pyridyl)quinazolin-4-yl]amine Formula: C42H36N8OS MolecularWeight: 700.85324

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(N=C2NCC3=CC=CC=C3)C4=CN=CC=C4.C1=CC=C(C=C1)CNC2=NC(=NC3=C2C=C(C=C3)CO)C4=CN=CC=C4

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(N=C2NCC3=CC=CC=C3)C4=CN=CC=C4.C1=CC=C(C=C1)CNC2=NC(=NC3=C2C=C(C=C3)CO)C4=CN=CC=C4

InChI

InChI=1S/C21H18N4O.C21H18N4S/c26-14-16-8-9-19-18(11-16)21(23-12-15-5-2-1-3-6-15)25-20(24-19)17-7-4-10-22-13-17;1-26-17-9-10-19-18(12-17)21(23-13-15-6-3-2-4-7-15)25-20(24-19)16-8-5-11-22-14-16/h1-11,13,26H,12,14H2,(H,23,24,25);2-12,14H,13H2,1H3,(H,23,24,25)