[2,4-bis(azanyl)quinazolin-6-yl]methyl 3-iodanylbenzoate

Systemtic Name: [2,4-bis(azanyl)quinazolin-6-yl]methyl 3-iodanylbenzoate Openeye Name: (2,4-diaminoquinazolin-6-yl)methyl 3-iodobenzoate CAS Name: 3-iodobenzoic acid (2,4-diamino-6-quinazolinyl)methyl ester IUPAC Name: (2,4-diaminoquinazolin-6-yl)methyl 3-iodobenzoate Traditional Name: 3-iodobenzoic acid (2,4-diaminoquinazolin-6-yl)methyl ester Formula: C16H13IN4O2 MolecularWeight: 420.20449

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C(=O)OCC2=CC3=C(C=C2)N=C(N=C3N)N

Isomeric SMILES

C1=CC(=CC(=C1)I)C(=O)OCC2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C16H13IN4O2/c17-11-3-1-2-10(7-11)15(22)23-8-9-4-5-13-12(6-9)14(18)21-16(19)20-13/h1-7H,8H2,(H4,18,19,20,21)