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

Systemtic Name: N-[4,6-bis(azanyl)pyrimidin-5-yl]-3-chloranyl-4-(3-phenoxypropoxy)benzamide Openeye Name: 3-chloro-N-(4,6-diaminopyrimidin-5-yl)-4-(3-phenoxypropoxy)benzamide CAS Name: 3-chloro-N-(4,6-diamino-5-pyrimidinyl)-4-(3-phenoxypropoxy)benzamide IUPAC Name: 3-chloro-N-(4,6-diaminopyrimidin-5-yl)-4-(3-phenoxypropoxy)benzamide Traditional Name: 3-chloro-N-(4,6-diaminopyrimidin-5-yl)-4-(3-phenoxypropoxy)benzamide Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2)C(=O)NC3=C(N=CN=C3N)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCCCOC2=C(C=C(C=C2)C(=O)NC3=C(N=CN=C3N)N)Cl

InChI

InChI=1S/C20H20ClN5O3/c21-15-11-13(20(27)26-17-18(22)24-12-25-19(17)23)7-8-16(15)29-10-4-9-28-14-5-2-1-3-6-14/h1-3,5-8,11-12H,4,9-10H2,(H,26,27)(H4,22,23,24,25)