2-(3-methylphenoxy)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]propanamide

Systemtic Name: 2-(3-methylphenoxy)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]propanamide Openeye Name: 2-(3-methylphenoxy)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]propanamide CAS Name: 2-(3-methylphenoxy)-N-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethyl]propanamide IUPAC Name: 2-(3-methylphenoxy)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]propanamide Traditional Name: 2-(3-methylphenoxy)-N-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethyl]propionamide Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)OC(C)C(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C

InChI

InChI=1S/C21H29N5O3/c1-16-5-4-6-18(13-16)29-17(2)21(27)22-7-12-28-20-14-19(23-15-24-20)26-10-8-25(3)9-11-26/h4-6,13-15,17H,7-12H2,1-3H3,(H,22,27)