N-cyclopropyl-4-methyl-3-[6-[4-(morpholin-4-ylmethyl)phenyl]purin-9-yl]benzamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[6-[4-(morpholin-4-ylmethyl)phenyl]purin-9-yl]benzamide Openeye Name: N-cyclopropyl-4-methyl-3-[6-[4-(morpholinomethyl)phenyl]purin-9-yl]benzamide CAS Name: N-cyclopropyl-4-methyl-3-[6-[4-(4-morpholinylmethyl)phenyl]-9-purinyl]benzamide IUPAC Name: N-cyclopropyl-4-methyl-3-[6-[4-(morpholin-4-ylmethyl)phenyl]purin-9-yl]benzamide Traditional Name: N-cyclopropyl-4-methyl-3-[6-[4-(morpholinomethyl)phenyl]purin-9-yl]benzamide Formula: C27H28N6O2 MolecularWeight: 468.55022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC=C(C=C5)CN6CCOCC6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C=NC4=C(N=CN=C43)C5=CC=C(C=C5)CN6CCOCC6

InChI

InChI=1S/C27H28N6O2/c1-18-2-5-21(27(34)31-22-8-9-22)14-23(18)33-17-30-25-24(28-16-29-26(25)33)20-6-3-19(4-7-20)15-32-10-12-35-13-11-32/h2-7,14,16-17,22H,8-13,15H2,1H3,(H,31,34)