N-[4,6-bis(azanyl)pyrimidin-5-yl]-3-chloranyl-4-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[4,6-bis(azanyl)pyrimidin-5-yl]-3-chloranyl-4-(2-phenoxyethoxy)benzamide Openeye Name: 3-chloro-N-(4,6-diaminopyrimidin-5-yl)-4-(2-phenoxyethoxy)benzamide CAS Name: 3-chloro-N-(4,6-diamino-5-pyrimidinyl)-4-(2-phenoxyethoxy)benzamide IUPAC Name: 3-chloro-N-(4,6-diaminopyrimidin-5-yl)-4-(2-phenoxyethoxy)benzamide Traditional Name: 3-chloro-N-(4,6-diaminopyrimidin-5-yl)-4-(2-phenoxyethoxy)benzamide Formula: C19H18ClN5O3 MolecularWeight: 399.83092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C(=O)NC3=C(N=CN=C3N)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C(=O)NC3=C(N=CN=C3N)N)Cl

InChI

InChI=1S/C19H18ClN5O3/c20-14-10-12(19(26)25-16-17(21)23-11-24-18(16)22)6-7-15(14)28-9-8-27-13-4-2-1-3-5-13/h1-7,10-11H,8-9H2,(H,25,26)(H4,21,22,23,24)