4-[(2R,3S)-2-[2-(1-adamantyl)-3H-1,2,4-triazol-4-yl]-3-methyl-pentyl]-6-butyl-2-phenyl-pyrimidine

Systemtic Name: 4-[(2R,3S)-2-[2-(1-adamantyl)-3H-1,2,4-triazol-4-yl]-3-methyl-pentyl]-6-butyl-2-phenyl-pyrimidine Openeye Name: 4-[(2R,3S)-2-[2-(1-adamantyl)-3H-1,2,4-triazol-4-yl]-3-methyl-pentyl]-6-butyl-2-phenyl-pyrimidine CAS Name: 4-[(2R,3S)-2-[2-(1-adamantyl)-3H-1,2,4-triazol-4-yl]-3-methylpentyl]-6-butyl-2-phenylpyrimidine IUPAC Name: 4-[(2R,3S)-2-[2-(1-adamantyl)-3H-1,2,4-triazol-4-yl]-3-methylpentyl]-6-butyl-2-phenylpyrimidine Traditional Name: 4-[(2R,3S)-2-[2-(1-adamantyl)-3H-1,2,4-triazol-4-yl]-3-methyl-pentyl]-6-butyl-2-phenyl-pyrimidine Formula: C32H45N5 MolecularWeight: 499.7332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NC(=N1)C2=CC=CC=C2)CC(C(C)CC)N3CN(N=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCC1=CC(=NC(=N1)C2=CC=CC=C2)C[C@H]([C@@H](C)CC)N3CN(N=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H45N5/c1-4-6-12-28-16-29(35-31(34-28)27-10-8-7-9-11-27)17-30(23(3)5-2)36-21-33-37(22-36)32-18-24-13-25(19-32)15-26(14-24)20-32/h7-11,16,21,23-26,30H,4-6,12-15,17-20,22H2,1-3H3/t23-,24?,25?,26?,30+,32?/m0/s1