2-[[4-azanyl-5-(5-chloranyl-2-ethyl-4-methoxy-phenoxy)pyrimidin-2-yl]amino]butan-1-ol

Systemtic Name: 2-[[4-azanyl-5-(5-chloranyl-2-ethyl-4-methoxy-phenoxy)pyrimidin-2-yl]amino]butan-1-ol Openeye Name: 2-[[4-amino-5-(5-chloro-2-ethyl-4-methoxy-phenoxy)pyrimidin-2-yl]amino]butan-1-ol CAS Name: 2-[[4-amino-5-(5-chloro-2-ethyl-4-methoxyphenoxy)-2-pyrimidinyl]amino]-1-butanol IUPAC Name: 2-[[4-amino-5-(5-chloro-2-ethyl-4-methoxyphenoxy)pyrimidin-2-yl]amino]butan-1-ol Traditional Name: 2-[[4-amino-5-(5-chloro-2-ethyl-4-methoxy-phenoxy)pyrimidin-2-yl]amino]butan-1-ol Formula: C17H23ClN4O3 MolecularWeight: 366.84252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OC2=CN=C(N=C2N)NC(CC)CO)Cl)OC

Isomeric SMILES

CCC1=CC(=C(C=C1OC2=CN=C(N=C2N)NC(CC)CO)Cl)OC

InChI

InChI=1S/C17H23ClN4O3/c1-4-10-6-14(24-3)12(18)7-13(10)25-15-8-20-17(22-16(15)19)21-11(5-2)9-23/h6-8,11,23H,4-5,9H2,1-3H3,(H3,19,20,21,22)