N-methyl-N-[3-methyl-4-[[6-[(1-prop-2-enoylpiperidin-3-yl)amino]-7H-purin-2-yl]amino]phenyl]propanamide

Systemtic Name: N-methyl-N-[3-methyl-4-[[6-[(1-prop-2-enoylpiperidin-3-yl)amino]-7H-purin-2-yl]amino]phenyl]propanamide Openeye Name: N-methyl-N-[3-methyl-4-[[6-[(1-prop-2-enoyl-3-piperidyl)amino]-7H-purin-2-yl]amino]phenyl]propanamide CAS Name: N-methyl-N-[3-methyl-4-[[6-[[1-(1-oxoprop-2-enyl)-3-piperidinyl]amino]-7H-purin-2-yl]amino]phenyl]propanamide IUPAC Name: N-methyl-N-[3-methyl-4-[[6-[(1-prop-2-enoylpiperidin-3-yl)amino]-7H-purin-2-yl]amino]phenyl]propanamide Traditional Name: N-[4-[[6-[(1-acryloyl-3-piperidyl)amino]-7H-purin-2-yl]amino]-3-methyl-phenyl]-N-methyl-propionamide Formula: C24H30N8O2 MolecularWeight: 462.5474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C)C1=CC(=C(C=C1)NC2=NC3=C(C(=N2)NC4CCCN(C4)C(=O)C=C)NC=N3)C

Isomeric SMILES

CCC(=O)N(C)C1=CC(=C(C=C1)NC2=NC3=C(C(=N2)NC4CCCN(C4)C(=O)C=C)NC=N3)C

InChI

InChI=1S/C24H30N8O2/c1-5-19(33)31(4)17-9-10-18(15(3)12-17)28-24-29-22-21(25-14-26-22)23(30-24)27-16-8-7-11-32(13-16)20(34)6-2/h6,9-10,12,14,16H,2,5,7-8,11,13H2,1,3-4H3,(H3,25,26,27,28,29,30)