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

Systemtic Name: N-[4,6-bis(azanyl)pyrimidin-5-yl]-3-chloranyl-4-(4-phenoxybutoxy)benzamide Openeye Name: 3-chloro-N-(4,6-diaminopyrimidin-5-yl)-4-(4-phenoxybutoxy)benzamide CAS Name: 3-chloro-N-(4,6-diamino-5-pyrimidinyl)-4-(4-phenoxybutoxy)benzamide IUPAC Name: 3-chloro-N-(4,6-diaminopyrimidin-5-yl)-4-(4-phenoxybutoxy)benzamide Traditional Name: 3-chloro-N-(4,6-diaminopyrimidin-5-yl)-4-(4-phenoxybutoxy)benzamide Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCOC2=C(C=C(C=C2)C(=O)NC3=C(N=CN=C3N)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCCCCOC2=C(C=C(C=C2)C(=O)NC3=C(N=CN=C3N)N)Cl

InChI

InChI=1S/C21H22ClN5O3/c22-16-12-14(21(28)27-18-19(23)25-13-26-20(18)24)8-9-17(16)30-11-5-4-10-29-15-6-2-1-3-7-15/h1-3,6-9,12-13H,4-5,10-11H2,(H,27,28)(H4,23,24,25,26)