4-[(2-chloranyl-7H-purin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]butanamide

Systemtic Name: 4-[(2-chloranyl-7H-purin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]butanamide Openeye Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]butanamide CAS Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]butanamide IUPAC Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]butanamide Traditional Name: 4-[(2-chloro-7H-purin-6-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]butyramide Formula: C18H21ClN6O2 MolecularWeight: 388.85134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)CCCNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)CCCNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C18H21ClN6O2/c1-27-13-6-3-2-5-12(13)8-10-20-14(26)7-4-9-21-16-15-17(23-11-22-15)25-18(19)24-16/h2-3,5-6,11H,4,7-10H2,1H3,(H,20,26)(H2,21,22,23,24,25)