2-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenoxy]propan-1-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3OC(C)CO)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3OC(C)CO)[N+](=O)[O-]

InChI

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