N-[4,6-bis(azanyl)pyrimidin-5-yl]-3-bromanyl-4-phenylmethoxy-benzamide

Systemtic Name: N-[4,6-bis(azanyl)pyrimidin-5-yl]-3-bromanyl-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-3-bromo-N-(4,6-diaminopyrimidin-5-yl)benzamide CAS Name: 3-bromo-N-(4,6-diamino-5-pyrimidinyl)-4-phenylmethoxybenzamide IUPAC Name: 3-bromo-N-(4,6-diaminopyrimidin-5-yl)-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-3-bromo-N-(4,6-diaminopyrimidin-5-yl)benzamide Formula: C18H16BrN5O2 MolecularWeight: 414.25594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)NC3=C(N=CN=C3N)N)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)NC3=C(N=CN=C3N)N)Br

InChI

InChI=1S/C18H16BrN5O2/c19-13-8-12(18(25)24-15-16(20)22-10-23-17(15)21)6-7-14(13)26-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,24,25)(H4,20,21,22,23)