N-(1,3-benzodioxol-5-ylmethyl)-7-morpholin-4-yl-6-nitro-quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-morpholin-4-yl-6-nitro-quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-morpholino-6-nitro-quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-(4-morpholinyl)-6-nitro-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-morpholin-4-yl-6-nitroquinazolin-4-amine Traditional Name: (7-morpholino-6-nitro-quinazolin-4-yl)-piperonyl-amine Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5/c26-25(27)17-8-14-15(9-16(17)24-3-5-28-6-4-24)22-11-23-20(14)21-10-13-1-2-18-19(7-13)30-12-29-18/h1-2,7-9,11H,3-6,10,12H2,(H,21,22,23)