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

Systemtic Name: N-[4,6-bis(azanyl)pyrimidin-5-yl]-3-chloranyl-4-phenethyl-benzamide Openeye Name: 3-chloro-N-(4,6-diaminopyrimidin-5-yl)-4-phenethyl-benzamide CAS Name: 3-chloro-N-(4,6-diamino-5-pyrimidinyl)-4-phenethylbenzamide IUPAC Name: 3-chloro-N-(4,6-diaminopyrimidin-5-yl)-4-phenethylbenzamide Traditional Name: 3-chloro-N-(4,6-diaminopyrimidin-5-yl)-4-phenethyl-benzamide Formula: C19H18ClN5O MolecularWeight: 367.83212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C=C(C=C2)C(=O)NC3=C(N=CN=C3N)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=C(C=C2)C(=O)NC3=C(N=CN=C3N)N)Cl

InChI

InChI=1S/C19H18ClN5O/c20-15-10-14(19(26)25-16-17(21)23-11-24-18(16)22)9-8-13(15)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,25,26)(H4,21,22,23,24)