6-chloranyl-N4-[(2S,3R)-8-methyl-9-(oxan-2-yl)-2-phenylmethoxy-nonan-3-yl]pyrimidine-4,5-diamine

Systemtic Name: 6-chloranyl-N4-[(2S,3R)-8-methyl-9-(oxan-2-yl)-2-phenylmethoxy-nonan-3-yl]pyrimidine-4,5-diamine Openeye Name: N4-[(1R)-1-[(1S)-1-benzyloxyethyl]-6-methyl-7-tetrahydropyran-2-yl-heptyl]-6-chloro-pyrimidine-4,5-diamine CAS Name: 6-chloro-N4-[(2S,3R)-8-methyl-9-(2-oxanyl)-2-phenylmethoxynonan-3-yl]pyrimidine-4,5-diamine IUPAC Name: 6-chloro-4-N-[(2S,3R)-8-methyl-9-(oxan-2-yl)-2-phenylmethoxynonan-3-yl]pyrimidine-4,5-diamine Traditional Name: (5-amino-6-chloro-pyrimidin-4-yl)-[(1R)-1-[(1S)-1-benzoxyethyl]-6-methyl-7-tetrahydropyran-2-yl-heptyl]amine Formula: C26H39ClN4O2 MolecularWeight: 475.06646

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC(C(C)OCC1=CC=CC=C1)NC2=C(C(=NC=N2)Cl)N)CC3CCCCO3

Isomeric SMILES

C[C@@H]([C@@H](CCCCC(C)CC1CCCCO1)NC2=C(C(=NC=N2)Cl)N)OCC3=CC=CC=C3

InChI

InChI=1S/C26H39ClN4O2/c1-19(16-22-13-8-9-15-32-22)10-6-7-14-23(31-26-24(28)25(27)29-18-30-26)20(2)33-17-21-11-4-3-5-12-21/h3-5,11-12,18-20,22-23H,6-10,13-17,28H2,1-2H3,(H,29,30,31)/t19?,20-,22?,23+/m0/s1