6-nitro-N-(phenylmethyl)-2-pyridin-3-yl-quinazolin-4-amine dichloride

Systemtic Name: 6-nitro-N-(phenylmethyl)-2-pyridin-3-yl-quinazolin-4-amine dichloride Openeye Name: N-benzyl-6-nitro-2-(3-pyridyl)quinazolin-4-amine dichloride CAS Name: 6-nitro-N-(phenylmethyl)-2-(3-pyridinyl)-4-quinazolinamine dichloride IUPAC Name: N-benzyl-6-nitro-2-pyridin-3-ylquinazolin-4-amine dichloride Traditional Name: benzyl-[6-nitro-2-(3-pyridyl)quinazolin-4-yl]amine dichloride Formula: C20H15Cl2N5O2-2 MolecularWeight: 428.2714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC3=C2C=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=C2C=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C20H15N5O2.2ClH/c26-25(27)16-8-9-18-17(11-16)20(22-12-14-5-2-1-3-6-14)24-19(23-18)15-7-4-10-21-13-15;;/h1-11,13H,12H2,(H,22,23,24);2*1H/p-2