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

Systemtic Name: 4-[[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenyl]amino]butan-1-ol Openeye Name: 4-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]anilino]butan-1-ol CAS Name: 4-[2-[[[7-(ethylamino)-6-nitro-4-quinazolinyl]amino]methyl]anilino]-1-butanol IUPAC Name: 4-[2-[[[7-(ethylamino)-6-nitroquinazolin-4-yl]amino]methyl]anilino]butan-1-ol Traditional Name: 4-[2-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]anilino]butan-1-ol Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NCCCCO)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3NCCCCO)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O3/c1-2-22-19-12-18-16(11-20(19)27(29)30)21(26-14-25-18)24-13-15-7-3-4-8-17(15)23-9-5-6-10-28/h3-4,7-8,11-12,14,22-23,28H,2,5-6,9-10,13H2,1H3,(H,24,25,26)