6-chloranyl-N4-[(2S,3R)-2-phenylmethoxynon-8-en-3-yl]pyrimidine-4,5-diamine

Systemtic Name: 6-chloranyl-N4-[(2S,3R)-2-phenylmethoxynon-8-en-3-yl]pyrimidine-4,5-diamine Openeye Name: N4-[(1R)-1-[(1S)-1-benzyloxyethyl]hept-6-enyl]-6-chloro-pyrimidine-4,5-diamine CAS Name: 6-chloro-N4-[(2S,3R)-2-phenylmethoxynon-8-en-3-yl]pyrimidine-4,5-diamine IUPAC Name: 6-chloro-4-N-[(2S,3R)-2-phenylmethoxynon-8-en-3-yl]pyrimidine-4,5-diamine Traditional Name: (5-amino-6-chloro-pyrimidin-4-yl)-[(1R)-1-[(1S)-1-benzoxyethyl]hept-6-enyl]amine Formula: C20H27ClN4O MolecularWeight: 374.90758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCCC=C)NC1=C(C(=NC=N1)Cl)N)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@@H](CCCCC=C)NC1=C(C(=NC=N1)Cl)N)OCC2=CC=CC=C2

InChI

InChI=1S/C20H27ClN4O/c1-3-4-5-9-12-17(25-20-18(22)19(21)23-14-24-20)15(2)26-13-16-10-7-6-8-11-16/h3,6-8,10-11,14-15,17H,1,4-5,9,12-13,22H2,2H3,(H,23,24,25)/t15-,17+/m0/s1