1-ethyl-3-[2-methoxy-4-[[5-methyl-4-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]amino]phenyl]urea

Systemtic Name: 1-ethyl-3-[2-methoxy-4-[[5-methyl-4-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]amino]phenyl]urea Openeye Name: 1-ethyl-3-[2-methoxy-4-[[5-methyl-4-[[(1S)-1-(3-pyridyl)butyl]amino]pyrimidin-2-yl]amino]phenyl]urea CAS Name: 1-ethyl-3-[2-methoxy-4-[[5-methyl-4-[[(1S)-1-(3-pyridinyl)butyl]amino]-2-pyrimidinyl]amino]phenyl]urea IUPAC Name: 1-ethyl-3-[2-methoxy-4-[[5-methyl-4-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]amino]phenyl]urea Traditional Name: 1-ethyl-3-[2-methoxy-4-[[5-methyl-4-[[(1S)-1-(3-pyridyl)butyl]amino]pyrimidin-2-yl]amino]phenyl]urea Formula: C24H31N7O2 MolecularWeight: 449.54864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CN=CC=C1)NC2=NC(=NC=C2C)NC3=CC(=C(C=C3)NC(=O)NCC)OC

Isomeric SMILES

CCC[C@@H](C1=CN=CC=C1)NC2=NC(=NC=C2C)NC3=CC(=C(C=C3)NC(=O)NCC)OC

InChI

InChI=1S/C24H31N7O2/c1-5-8-19(17-9-7-12-25-15-17)29-22-16(3)14-27-23(31-22)28-18-10-11-20(21(13-18)33-4)30-24(32)26-6-2/h7,9-15,19H,5-6,8H2,1-4H3,(H2,26,30,32)(H2,27,28,29,31)/t19-/m0/s1