[2,4-bis(azanyl)quinazolin-6-yl]methyl phenanthrene-9-carboxylate

Systemtic Name: [2,4-bis(azanyl)quinazolin-6-yl]methyl phenanthrene-9-carboxylate Openeye Name: (2,4-diaminoquinazolin-6-yl)methyl phenanthrene-9-carboxylate CAS Name: 9-phenanthrenecarboxylic acid (2,4-diamino-6-quinazolinyl)methyl ester IUPAC Name: (2,4-diaminoquinazolin-6-yl)methyl phenanthrene-9-carboxylate Traditional Name: phenanthrene-9-carboxylic acid (2,4-diaminoquinazolin-6-yl)methyl ester Formula: C24H18N4O2 MolecularWeight: 394.42532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C(=O)OCC4=CC5=C(C=C4)N=C(N=C5N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C(=O)OCC4=CC5=C(C=C4)N=C(N=C5N)N

InChI

InChI=1S/C24H18N4O2/c25-22-20-11-14(9-10-21(20)27-24(26)28-22)13-30-23(29)19-12-15-5-1-2-6-16(15)17-7-3-4-8-18(17)19/h1-12H,13H2,(H4,25,26,27,28)