N4-(3-chloranyl-4-phenylmethoxy-phenyl)-5-[(E)-3-morpholin-4-ylpropoxyiminomethyl]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-chloranyl-4-phenylmethoxy-phenyl)-5-[(E)-3-morpholin-4-ylpropoxyiminomethyl]pyrimidine-4,6-diamine Openeye Name: N4-(4-benzyloxy-3-chloro-phenyl)-5-[(E)-3-morpholinopropoxyiminomethyl]pyrimidine-4,6-diamine CAS Name: N4-(3-chloro-4-phenylmethoxyphenyl)-5-[(E)-3-(4-morpholinyl)propoxyiminomethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-chloro-4-phenylmethoxyphenyl)-5-[(E)-3-morpholin-4-ylpropoxyiminomethyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-5-[(E)-3-morpholinopropyloximinomethyl]pyrimidin-4-yl]-(4-benzoxy-3-chloro-phenyl)amine Formula: C25H29ClN6O3 MolecularWeight: 496.98916

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCON=CC2=C(N=CN=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)N

Isomeric SMILES

C1COCCN1CCCO/N=C/C2=C(N=CN=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)N

InChI

InChI=1S/C25H29ClN6O3/c26-22-15-20(7-8-23(22)34-17-19-5-2-1-3-6-19)31-25-21(24(27)28-18-29-25)16-30-35-12-4-9-32-10-13-33-14-11-32/h1-3,5-8,15-16,18H,4,9-14,17H2,(H3,27,28,29,31)/b30-16+