3-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]-phenyl-methoxy]propan-1-ol

Systemtic Name: 3-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]-phenyl-methoxy]propan-1-ol Openeye Name: 3-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]-phenyl-methoxy]propan-1-ol CAS Name: 3-[[[7-(ethylamino)-6-nitro-4-quinazolinyl]amino]-phenylmethoxy]-1-propanol IUPAC Name: 3-[[[7-(ethylamino)-6-nitroquinazolin-4-yl]amino]-phenylmethoxy]propan-1-ol Traditional Name: 3-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]-phenyl-methoxy]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=C2NC(C3=CC=CC=C3)OCCCO)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NC(C3=CC=CC=C3)OCCCO)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4/c1-2-21-17-12-16-15(11-18(17)25(27)28)19(23-13-22-16)24-20(29-10-6-9-26)14-7-4-3-5-8-14/h3-5,7-8,11-13,20-21,26H,2,6,9-10H2,1H3,(H,22,23,24)