N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]-6-nitro-quinazolin-4-amine

Systemtic Name: N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]-6-nitro-quinazolin-4-amine Openeye Name: N-[3-methyl-4-(2-pyridylmethoxy)phenyl]-6-nitro-quinazolin-4-amine CAS Name: N-[3-methyl-4-(2-pyridinylmethoxy)phenyl]-6-nitro-4-quinazolinamine IUPAC Name: N-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]-6-nitroquinazolin-4-amine Traditional Name: [3-methyl-4-(2-pyridylmethoxy)phenyl]-(6-nitroquinazolin-4-yl)amine Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)[N+](=O)[O-])OCC4=CC=CC=N4

InChI

InChI=1S/C21H17N5O3/c1-14-10-15(5-8-20(14)29-12-16-4-2-3-9-22-16)25-21-18-11-17(26(27)28)6-7-19(18)23-13-24-21/h2-11,13H,12H2,1H3,(H,23,24,25)