N-[4-[2-[2-azanyl-4-[(4-oxidanylcyclohexyl)amino]pyrimidin-5-yl]ethynyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-[2-azanyl-4-[(4-oxidanylcyclohexyl)amino]pyrimidin-5-yl]ethynyl]phenyl]ethanamide Openeye Name: N-[4-[2-[2-amino-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]ethynyl]phenyl]acetamide CAS Name: N-[4-[2-[2-amino-4-[(4-hydroxycyclohexyl)amino]-5-pyrimidinyl]ethynyl]phenyl]acetamide IUPAC Name: N-[4-[2-[2-amino-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]ethynyl]phenyl]acetamide Traditional Name: N-[4-[2-[2-amino-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]ethynyl]phenyl]acetamide Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C#CC2=CN=C(N=C2NC3CCC(CC3)O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C#CC2=CN=C(N=C2NC3CCC(CC3)O)N

InChI

InChI=1S/C20H23N5O2/c1-13(26)23-16-6-3-14(4-7-16)2-5-15-12-22-20(21)25-19(15)24-17-8-10-18(27)11-9-17/h3-4,6-7,12,17-18,27H,8-11H2,1H3,(H,23,26)(H3,21,22,24,25)