2-[[7-(ethylamino)-6-nitro-quinazolin-4-yl]-(phenylmethyl)amino]oxypropan-1-ol

Systemtic Name: 2-[[7-(ethylamino)-6-nitro-quinazolin-4-yl]-(phenylmethyl)amino]oxypropan-1-ol Openeye Name: 2-[benzyl-[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]oxypropan-1-ol CAS Name: 2-[[7-(ethylamino)-6-nitro-4-quinazolinyl]-(phenylmethyl)amino]oxy-1-propanol IUPAC Name: 2-[benzyl-[7-(ethylamino)-6-nitroquinazolin-4-yl]amino]oxypropan-1-ol Traditional Name: 2-[benzyl-[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]oxypropan-1-ol Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2N(CC3=CC=CC=C3)OC(C)CO)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2N(CC3=CC=CC=C3)OC(C)CO)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4/c1-3-21-18-10-17-16(9-19(18)25(27)28)20(23-13-22-17)24(29-14(2)12-26)11-15-7-5-4-6-8-15/h4-10,13-14,21,26H,3,11-12H2,1-2H3